3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine

C14H28N2 — CID 3020818

IUPAC3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1C(N)CCCC1CC1CCC(N)CC1
InChIInChI=1S/C14H28N2/c1-10-12(3-2-4-14(10)16)9-11-5-7-13(15)8-6-11/h10-14H,2-9,15-16H2,1H3
InChIKeyKSESQIMXKGVXPO-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds2

About 3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine

3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 3020818) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine
PubChem CID3020818
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1C(N)CCCC1CC1CCC(N)CC1
InChIInChI=1S/C14H28N2/c1-10-12(3-2-4-14(10)16)9-11-5-7-13(15)8-6-11/h10-14H,2-9,15-16H2,1H3
InChIKeyKSESQIMXKGVXPO-UHFFFAOYSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine (CID 3020818) is 3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine is CC1C(N)CCCC1CC1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is KSESQIMXKGVXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-10-12(3-2-4-14(10)16)9-11-5-7-13(15)8-6-11/h10-14H,2-9,15-16H2,1H3.
What are the key properties of 3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine?
3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 3020818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).