ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine

C27H42N2 — CID 143743601

IUPACethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine
SMILESCC.CC.CC.CC1C=CN(N)c2cc3c(cc2C1C)-c1ccccc1C3(C)C
InChIInChI=1S/C21H24N2.3C2H6/c1-13-9-10-23(22)20-12-19-17(11-16(20)14(13)2)15-7-5-6-8-18(15)21(19,3)4;3*1-2/h5-14H,22H2,1-4H3;3*1-2H3
InChIKeyJWRGMDXBHAUMJX-UHFFFAOYSA-N
MW394.65 g/mol
LogP8.02
Rot. Bonds

About ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine

ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine (PubChem CID 143743601) has the molecular formula C27H42N2 and a molecular weight of 394.65 g/mol. Its IUPAC name is ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine.

Molecular Properties

Compound Nameethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine
PubChem CID143743601
Molecular FormulaC27H42N2
Molecular Weight394.65 g/mol
Exact Mass394.33
IUPAC Nameethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine
SMILESCC.CC.CC.CC1C=CN(N)c2cc3c(cc2C1C)-c1ccccc1C3(C)C
InChIInChI=1S/C21H24N2.3C2H6/c1-13-9-10-23(22)20-12-19-17(11-16(20)14(13)2)15-7-5-6-8-18(15)21(19,3)4;3*1-2/h5-14H,22H2,1-4H3;3*1-2H3
InChIKeyJWRGMDXBHAUMJX-UHFFFAOYSA-N
XLogP8.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.65
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine with MolForge

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Related Compounds

2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 129305206
(2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole
CID 59747528
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole
CID 71012219
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2,2,12,12,20,20-hexamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 129305162
17,17,21,24,24-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.010,18.011,16.023,31.025,30]tritriaconta-1(22),2,4,6,8,10(18),11,13,15,19,23(31),25,27,29,32-pentadecaene
CID 139506414
2,3-dimethoxy-9,9-dimethylfluorene
CID 134997139
10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene
CID 58184992
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene
CID 139506238

Frequently Asked Questions

What is the IUPAC name of ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine?
The IUPAC name of ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine (CID 143743601) is ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine.
What is the SMILES notation for ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine?
The canonical SMILES for ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine is CC.CC.CC.CC1C=CN(N)c2cc3c(cc2C1C)-c1ccccc1C3(C)C.
What is the InChIKey of ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine?
The InChIKey is JWRGMDXBHAUMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2.3C2H6/c1-13-9-10-23(22)20-12-19-17(11-16(20)14(13)2)15-7-5-6-8-18(15)21(19,3)4;3*1-2/h5-14H,22H2,1-4H3;3*1-2H3.
What are the key properties of ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine?
ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine has a molecular weight of 394.65 g/mol, XLogP of 8.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine is sourced from PubChem (CID 143743601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).