(2-indol-1-ylcycloheptyl)methanamine

C16H22N2 — CID 43329408

IUPAC(2-indol-1-ylcycloheptyl)methanamine
SMILESNCC1CCCCCC1n1ccc2ccccc21
InChIInChI=1S/C16H22N2/c17-12-14-7-2-1-3-8-16(14)18-11-10-13-6-4-5-9-15(13)18/h4-6,9-11,14,16H,1-3,7-8,12,17H2
InChIKeyPWLBOMIQDZIGJR-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.72
Rot. Bonds2

About (2-indol-1-ylcycloheptyl)methanamine

(2-indol-1-ylcycloheptyl)methanamine (PubChem CID 43329408) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (2-indol-1-ylcycloheptyl)methanamine.

Molecular Properties

Compound Name(2-indol-1-ylcycloheptyl)methanamine
PubChem CID43329408
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(2-indol-1-ylcycloheptyl)methanamine
SMILESNCC1CCCCCC1n1ccc2ccccc21
InChIInChI=1S/C16H22N2/c17-12-14-7-2-1-3-8-16(14)18-11-10-13-6-4-5-9-15(13)18/h4-6,9-11,14,16H,1-3,7-8,12,17H2
InChIKeyPWLBOMIQDZIGJR-UHFFFAOYSA-N
XLogP3.72
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-indazol-1-ylcycloheptyl)methanamine
CID 62140360
1-[2-(aminomethyl)cyclohexyl]pyridin-2-one
CID 43428508
[2-(2-methylindol-1-yl)cyclohexyl]methanamine
CID 43329406
[2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine
CID 61070468
2-indol-1-yl-N,N-dimethylcyclopropan-1-amine
CID 166892100
dicyclohexyl(indol-1-yl)phosphane
CID 66644852
(1S,5R)-9-cyclodecyl-7-indol-1-yl-3-oxa-9-azabicyclo[3.3.1]nonane
CID 90266733
tert-butyl 3-(hydroxymethyl)-4-indol-1-ylpiperidine-1-carboxylate
CID 69269361
1-(3-methylpiperidin-4-yl)indole
CID 69270598
3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one
CID 43428646
1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole
CID 58652162
2-indazol-1-ylcycloheptan-1-amine
CID 55040785

Frequently Asked Questions

What is the IUPAC name of (2-indol-1-ylcycloheptyl)methanamine?
The IUPAC name of (2-indol-1-ylcycloheptyl)methanamine (CID 43329408) is (2-indol-1-ylcycloheptyl)methanamine.
What is the SMILES notation for (2-indol-1-ylcycloheptyl)methanamine?
The canonical SMILES for (2-indol-1-ylcycloheptyl)methanamine is NCC1CCCCCC1n1ccc2ccccc21.
What is the InChIKey of (2-indol-1-ylcycloheptyl)methanamine?
The InChIKey is PWLBOMIQDZIGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c17-12-14-7-2-1-3-8-16(14)18-11-10-13-6-4-5-9-15(13)18/h4-6,9-11,14,16H,1-3,7-8,12,17H2.
What are the key properties of (2-indol-1-ylcycloheptyl)methanamine?
(2-indol-1-ylcycloheptyl)methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-indol-1-ylcycloheptyl)methanamine is sourced from PubChem (CID 43329408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).