6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine

C21H26N2 — CID 2840334

IUPAC6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine
SMILESC=CC/N=C1\CCCc2c1[nH]c1ccc(C3CCCCC3)cc21
InChIInChI=1S/C21H26N2/c1-2-13-22-20-10-6-9-17-18-14-16(15-7-4-3-5-8-15)11-12-19(18)23-21(17)20/h2,11-12,14-15,23H,1,3-10,13H2/b22-20+
InChIKeyNTNNELMKIOBKSW-LSDHQDQOSA-N
MW306.45 g/mol
LogP5.53
Rot. Bonds3

About 6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine

6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine (PubChem CID 2840334) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine.

Molecular Properties

Compound Name6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine
PubChem CID2840334
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine
SMILESC=CC/N=C1\CCCc2c1[nH]c1ccc(C3CCCCC3)cc21
InChIInChI=1S/C21H26N2/c1-2-13-22-20-10-6-9-17-18-14-16(15-7-4-3-5-8-15)11-12-19(18)23-21(17)20/h2,11-12,14-15,23H,1,3-10,13H2/b22-20+
InChIKeyNTNNELMKIOBKSW-LSDHQDQOSA-N
XLogP5.53
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-6-cyclohexyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide
CID 755453
6-cyclohexyl-9H-carbazol-1-ol
CID 75357906
ethyl 2-[(2S)-6-cyclohexyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl]-2-oxoacetate
CID 98119849
ethyl 2-(6-cyclohexyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate
CID 3112110
ethyl 2-(6-cyclohexyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-hydroxyacetate
CID 23989344
(NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine
CID 135504437
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
6-(2-adamantyl)-2,3,4,9-tetrahydrocarbazol-1-one
CID 2829068
6-cyclohexyl-N-[2-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2839198
[(1S)-6-cyclohexyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-[2-(4-nitrophenyl)ethyl]azanium
CID 2180633
6-cyclohexyl-N-[2-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 2839197
6-cyclohexyl-1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 10716225

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine?
The IUPAC name of 6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine (CID 2840334) is 6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine.
What is the SMILES notation for 6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine?
The canonical SMILES for 6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine is C=CC/N=C1\CCCc2c1[nH]c1ccc(C3CCCCC3)cc21.
What is the InChIKey of 6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine?
The InChIKey is NTNNELMKIOBKSW-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-13-22-20-10-6-9-17-18-14-16(15-7-4-3-5-8-15)11-12-19(18)23-21(17)20/h2,11-12,14-15,23H,1,3-10,13H2/b22-20+.
What are the key properties of 6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine?
6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine has a molecular weight of 306.45 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-imine is sourced from PubChem (CID 2840334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).