[1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine

C20H27N3 — CID 117494241

IUPAC[1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine
SMILESCn1c2c(c3cccc(C4(CN)CCCC4)c31)C1CCN2CC1
InChIInChI=1S/C20H27N3/c1-22-18-15(17-14-7-11-23(12-8-14)19(17)22)5-4-6-16(18)20(13-21)9-2-3-10-20/h4-6,14H,2-3,7-13,21H2,1H3
InChIKeyZILAWMKDLZVYLY-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.65
Rot. Bonds2

About [1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine

[1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine (PubChem CID 117494241) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is [1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine
PubChem CID117494241
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name[1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine
SMILESCn1c2c(c3cccc(C4(CN)CCCC4)c31)C1CCN2CC1
InChIInChI=1S/C20H27N3/c1-22-18-15(17-14-7-11-23(12-8-14)19(17)22)5-4-6-16(18)20(13-21)9-2-3-10-20/h4-6,14H,2-3,7-13,21H2,1H3
InChIKeyZILAWMKDLZVYLY-UHFFFAOYSA-N
XLogP3.65
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine with MolForge

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Related Compounds

1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopropane-1-carboxylic acid
CID 117477650
(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)methanol
CID 117274366
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
[1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine
CID 95432617
[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
CID 117360932
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-(1,2-dimethylindol-3-yl)cyclopentyl]methanamine
CID 82497283
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
CID 117469400
[1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine
CID 117448998
[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine
CID 117411533
[1-(7-chloro-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278339

Frequently Asked Questions

What is the IUPAC name of [1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine (CID 117494241) is [1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine is Cn1c2c(c3cccc(C4(CN)CCCC4)c31)C1CCN2CC1.
What is the InChIKey of [1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine?
The InChIKey is ZILAWMKDLZVYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-22-18-15(17-14-7-11-23(12-8-14)19(17)22)5-4-6-16(18)20(13-21)9-2-3-10-20/h4-6,14H,2-3,7-13,21H2,1H3.
What are the key properties of [1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine?
[1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine has a molecular weight of 309.46 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117494241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).