14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine

C35H51N — CID 635523

IUPAC14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine
SMILESCC(C)CCCC(C)C1CCC2C3CCC4Cc5c(cc(N)c6ccccc56)CC4(C)C3CCC12C
InChIInChI=1S/C35H51N/c1-22(2)9-8-10-23(3)30-15-16-31-28-14-13-25-20-29-24(19-33(36)27-12-7-6-11-26(27)29)21-35(25,5)32(28)17-18-34(30,31)4/h6-7,11-12,19,22-23,25,28,30-32H,8-10,13-18,20-21,36H2,1-5H3
InChIKeyRHTZZIDYTAHYFK-UHFFFAOYSA-N
MW485.80 g/mol
LogP9.46
Rot. Bonds5

About 14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine

14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine (PubChem CID 635523) has the molecular formula C35H51N and a molecular weight of 485.80 g/mol. Its IUPAC name is 14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine.

Molecular Properties

Compound Name14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine
PubChem CID635523
Molecular FormulaC35H51N
Molecular Weight485.80 g/mol
Exact Mass485.40
IUPAC Name14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine
SMILESCC(C)CCCC(C)C1CCC2C3CCC4Cc5c(cc(N)c6ccccc56)CC4(C)C3CCC12C
InChIInChI=1S/C35H51N/c1-22(2)9-8-10-23(3)30-15-16-31-28-14-13-25-20-29-24(19-33(36)27-12-7-6-11-26(27)29)21-35(25,5)32(28)17-18-34(30,31)4/h6-7,11-12,19,22-23,25,28,30-32H,8-10,13-18,20-21,36H2,1-5H3
InChIKeyRHTZZIDYTAHYFK-UHFFFAOYSA-N
XLogP9.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.80
LogP ≤ 59.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine with MolForge

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Related Compounds

1,11,22-trimethyl-21-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.017,25.018,22]pentacosa-3(12),4,6,8,10-pentaene
CID 635514
14,18-dimethyl-19-(6-methylheptan-2-yl)-11-nitrohexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosa-3,5,7,9,11-pentaene
CID 635737
(1S,2S,5R,6R,9S,10R,13R)-1,5,20-trimethyl-6-[(2R)-6-methylheptan-2-yl]-16-azahexacyclo[11.11.0.02,10.05,9.015,23.017,22]tetracosa-15(23),17(22),18,20-tetraene
CID 101278582
(2Z,5S,8R,9S,10S,13R,14S,17R)-2-[hydroxy(phenyl)methylidene]-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 99566091
(3S,4S,7R,8R,11S,12R)-3,7-dimethyl-8-[(2R)-6-methylheptan-2-yl]-29-phenyl-28-azaheptacyclo[15.12.0.03,15.04,12.07,11.018,27.019,24]nonacosa-1(17),18(27),19,21,23,25,28-heptaene
CID 122382922
(1S,2S,5R,6R,9S,10R,13S)-17,19-diamino-1,5-dimethyl-6-[(2R)-6-methylheptan-2-yl]pentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),16,18-triene-16,18-dicarbonitrile
CID 11272003
(1S,2S,5R,9S,10S,13S)-1,5-dimethyl-6-[(2R)-6-methylheptan-2-yl]-16,17-dipropyl-18-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-triene
CID 102100356
(2E,10S,13R,17R)-2-benzylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 134836667
(1S,2R,5R,6R,9S,10S,13S)-1,5-dimethyl-6-[(2S)-6-methylheptan-2-yl]-20-propan-2-yl-16-azahexacyclo[11.11.0.02,10.05,9.015,23.017,22]tetracosa-15(23),17(22),18,20-tetraene
CID 11944784
benzene-1,3-diamine;(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 174693446
1,5,19-trimethyl-6-(6-methylheptan-2-yl)-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-triene
CID 634847
(3S,4S,7R,8R,11S,12R,15S)-3,7-dimethyl-8-[(2R)-6-methylheptan-2-yl]-18,21-diazaheptacyclo[15.12.0.03,15.04,12.07,11.019,28.020,25]nonacosa-1(17),18,20(25),21,23,26,28-heptaene
CID 11800181

Frequently Asked Questions

What is the IUPAC name of 14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine?
The IUPAC name of 14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine (CID 635523) is 14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine.
What is the SMILES notation for 14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine?
The canonical SMILES for 14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine is CC(C)CCCC(C)C1CCC2C3CCC4Cc5c(cc(N)c6ccccc56)CC4(C)C3CCC12C.
What is the InChIKey of 14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine?
The InChIKey is RHTZZIDYTAHYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N/c1-22(2)9-8-10-23(3)30-15-16-31-28-14-13-25-20-29-24(19-33(36)27-12-7-6-11-26(27)29)21-35(25,5)32(28)17-18-34(30,31)4/h6-7,11-12,19,22-23,25,28,30-32H,8-10,13-18,20-21,36H2,1-5H3.
What are the key properties of 14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine?
14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine has a molecular weight of 485.80 g/mol, XLogP of 9.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14,18-dimethyl-19-(6-methylheptan-2-yl)hexacyclo[12.11.0.03,12.04,9.015,23.018,22]pentacosa-3(12),4,6,8,10-pentaen-10-amine is sourced from PubChem (CID 635523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).