[2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine

C19H28N2 — CID 43428668

IUPAC[2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(n2c(C)cc3ccccc32)C1
InChIInChI=1S/C19H28N2/c1-3-6-15-9-10-17(13-20)19(12-15)21-14(2)11-16-7-4-5-8-18(16)21/h4-5,7-8,11,15,17,19H,3,6,9-10,12-13,20H2,1-2H3
InChIKeyXHKFNSJDZQGQNK-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.67
Rot. Bonds4

About [2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine

[2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine (PubChem CID 43428668) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is [2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine
PubChem CID43428668
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name[2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(n2c(C)cc3ccccc32)C1
InChIInChI=1S/C19H28N2/c1-3-6-15-9-10-17(13-20)19(12-15)21-14(2)11-16-7-4-5-8-18(16)21/h4-5,7-8,11,15,17,19H,3,6,9-10,12-13,20H2,1-2H3
InChIKeyXHKFNSJDZQGQNK-UHFFFAOYSA-N
XLogP4.67
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine (CID 43428668) is [2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(n2c(C)cc3ccccc32)C1.
What is the InChIKey of [2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is XHKFNSJDZQGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-3-6-15-9-10-17(13-20)19(12-15)21-14(2)11-16-7-4-5-8-18(16)21/h4-5,7-8,11,15,17,19H,3,6,9-10,12-13,20H2,1-2H3.
What are the key properties of [2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine?
[2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 284.45 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylindol-1-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 43428668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).