N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine

C18H26N2 — CID 63504513

IUPACN-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine
SMILESCc1cccc2c1ccn2CCNCC1CCCCC1
InChIInChI=1S/C18H26N2/c1-15-6-5-9-18-17(15)10-12-20(18)13-11-19-14-16-7-3-2-4-8-16/h5-6,9-10,12,16,19H,2-4,7-8,11,13-14H2,1H3
InChIKeyKCVCDNLIFSZMJG-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.12
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine

N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine (PubChem CID 63504513) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine
PubChem CID63504513
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine
SMILESCc1cccc2c1ccn2CCNCC1CCCCC1
InChIInChI=1S/C18H26N2/c1-15-6-5-9-18-17(15)10-12-20(18)13-11-19-14-16-7-3-2-4-8-16/h5-6,9-10,12,16,19H,2-4,7-8,11,13-14H2,1H3
InChIKeyKCVCDNLIFSZMJG-UHFFFAOYSA-N
XLogP4.12
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine (CID 63504513) is N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine is Cc1cccc2c1ccn2CCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine?
The InChIKey is KCVCDNLIFSZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-15-6-5-9-18-17(15)10-12-20(18)13-11-19-14-16-7-3-2-4-8-16/h5-6,9-10,12,16,19H,2-4,7-8,11,13-14H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine?
N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine has a molecular weight of 270.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine is sourced from PubChem (CID 63504513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).