1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine

C17H22N2 — CID 107235576

IUPAC1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine
SMILESCn1cc(CNCC2CC=CCC2)c2ccccc21
InChIInChI=1S/C17H22N2/c1-19-13-15(16-9-5-6-10-17(16)19)12-18-11-14-7-3-2-4-8-14/h2-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1H3
InChIKeyJRFXCKHFPJDBHS-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.62
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine (PubChem CID 107235576) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine
PubChem CID107235576
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine
SMILESCn1cc(CNCC2CC=CCC2)c2ccccc21
InChIInChI=1S/C17H22N2/c1-19-13-15(16-9-5-6-10-17(16)19)12-18-11-14-7-3-2-4-8-14/h2-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1H3
InChIKeyJRFXCKHFPJDBHS-UHFFFAOYSA-N
XLogP3.62
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 115209330
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
N-[(1-methylindol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107235936
2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235324
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine
CID 79979311
4-methyl-1-[[(1-methylindol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 107235815
1-[(1S)-cyclohex-3-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]methanamine
CID 124568387
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine (CID 107235576) is 1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine is Cn1cc(CNCC2CC=CCC2)c2ccccc21.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine?
The InChIKey is JRFXCKHFPJDBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-19-13-15(16-9-5-6-10-17(16)19)12-18-11-14-7-3-2-4-8-14/h2-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine has a molecular weight of 254.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(1-methylindol-3-yl)methyl]methanamine is sourced from PubChem (CID 107235576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).