2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine

C17H26N2 — CID 64735817

IUPAC2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCc3ccccc32)C(N)C1
InChIInChI=1S/C17H26N2/c1-12-9-13(2)15(16(18)10-12)11-19-8-7-14-5-3-4-6-17(14)19/h3-6,12-13,15-16H,7-11,18H2,1-2H3
InChIKeyMIOOXRLOSIOKSI-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.06
Rot. Bonds2

About 2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine

2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64735817) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine
PubChem CID64735817
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCc3ccccc32)C(N)C1
InChIInChI=1S/C17H26N2/c1-12-9-13(2)15(16(18)10-12)11-19-8-7-14-5-3-4-6-17(14)19/h3-6,12-13,15-16H,7-11,18H2,1-2H3
InChIKeyMIOOXRLOSIOKSI-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine (CID 64735817) is 2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine is CC1CC(C)C(CN2CCc3ccccc32)C(N)C1.
What is the InChIKey of 2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is MIOOXRLOSIOKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12-9-13(2)15(16(18)10-12)11-19-8-7-14-5-3-4-6-17(14)19/h3-6,12-13,15-16H,7-11,18H2,1-2H3.
What are the key properties of 2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64735817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).