N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine

C18H28N2 — CID 114327303

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
SMILESCN(Cc1cccc2c1NCC2)C1CCC(C)(C)CC1
InChIInChI=1S/C18H28N2/c1-18(2)10-7-16(8-11-18)20(3)13-15-6-4-5-14-9-12-19-17(14)15/h4-6,16,19H,7-13H2,1-3H3
InChIKeyIIUCPIRJCONDHK-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.06
Rot. Bonds3

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 114327303) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
PubChem CID114327303
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
SMILESCN(Cc1cccc2c1NCC2)C1CCC(C)(C)CC1
InChIInChI=1S/C18H28N2/c1-18(2)10-7-16(8-11-18)20(3)13-15-6-4-5-14-9-12-19-17(14)15/h4-6,16,19H,7-13H2,1-3H3
InChIKeyIIUCPIRJCONDHK-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine (CID 114327303) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine is CN(Cc1cccc2c1NCC2)C1CCC(C)(C)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is IIUCPIRJCONDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2)10-7-16(8-11-18)20(3)13-15-6-4-5-14-9-12-19-17(14)15/h4-6,16,19H,7-13H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 114327303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).