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

C14H28N2 — CID 3020819

IUPAC3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)CC1CC1CCC(N)CC1
InChIInChI=1S/C14H28N2/c1-10-2-5-14(16)9-12(10)8-11-3-6-13(15)7-4-11/h10-14H,2-9,15-16H2,1H3
InChIKeyZMGAJHDCQTWMMT-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds2

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

3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 3020819) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID3020819
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)CC1CC1CCC(N)CC1
InChIInChI=1S/C14H28N2/c1-10-2-5-14(16)9-12(10)8-11-3-6-13(15)7-4-11/h10-14H,2-9,15-16H2,1H3
InChIKeyZMGAJHDCQTWMMT-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]-4-methylcyclohexan-1-amine?
The IUPAC name of 3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine (CID 3020819) is 3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(N)CC1CC1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is ZMGAJHDCQTWMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-10-2-5-14(16)9-12(10)8-11-3-6-13(15)7-4-11/h10-14H,2-9,15-16H2,1H3.
What are the key properties of 3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine?
3-[(4-aminocyclohexyl)methyl]-4-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]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 3020819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).