4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine

C18H28N2 — CID 102627605

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN2CCc3ccccc32)C1(C)C
InChIInChI=1S/C18H28N2/c1-13-16(19)9-8-15(18(13,2)3)12-20-11-10-14-6-4-5-7-17(14)20/h4-7,13,15-16H,8-12,19H2,1-3H3
InChIKeyHJLJDNCZWDLZKJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.45
Rot. Bonds2

About 4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine

4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102627605) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102627605
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN2CCc3ccccc32)C1(C)C
InChIInChI=1S/C18H28N2/c1-13-16(19)9-8-15(18(13,2)3)12-20-11-10-14-6-4-5-7-17(14)20/h4-7,13,15-16H,8-12,19H2,1-3H3
InChIKeyHJLJDNCZWDLZKJ-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine
CID 99109815
2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64735817
1-[(4-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
CID 63714531
2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine
CID 102627924
4-(azepan-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627583
2-(2,3-dihydroindol-1-ylmethyl)cyclopentan-1-ol
CID 62609345
2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine
CID 82768575
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627661
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119861404

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine (CID 102627605) is 4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine is CC1C(N)CCC(CN2CCc3ccccc32)C1(C)C.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is HJLJDNCZWDLZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-16(19)9-8-15(18(13,2)3)12-20-11-10-14-6-4-5-7-17(14)20/h4-7,13,15-16H,8-12,19H2,1-3H3.
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102627605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).