2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine

C17H34N2 — CID 71371143

IUPAC2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine
SMILESCC1CCCC(CCCC2CCCCC2(C)N)C1N
InChIInChI=1S/C17H34N2/c1-13-7-5-8-14(16(13)18)9-6-11-15-10-3-4-12-17(15,2)19/h13-16H,3-12,18-19H2,1-2H3
InChIKeyIIURROWYFIUIGR-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.83
Rot. Bonds4

About 2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine

2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine (PubChem CID 71371143) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine
PubChem CID71371143
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine
SMILESCC1CCCC(CCCC2CCCCC2(C)N)C1N
InChIInChI=1S/C17H34N2/c1-13-7-5-8-14(16(13)18)9-6-11-15-10-3-4-12-17(15,2)19/h13-16H,3-12,18-19H2,1-2H3
InChIKeyIIURROWYFIUIGR-UHFFFAOYSA-N
XLogP3.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine?
The IUPAC name of 2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine (CID 71371143) is 2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine is CC1CCCC(CCCC2CCCCC2(C)N)C1N.
What is the InChIKey of 2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine?
The InChIKey is IIURROWYFIUIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-7-5-8-14(16(13)18)9-6-11-15-10-3-4-12-17(15,2)19/h13-16H,3-12,18-19H2,1-2H3.
What are the key properties of 2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine?
2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 71371143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).