1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

C16H30N4 — CID 63014800

IUPAC1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(CN)(N(C)Cc2nccn2C)CC1
InChIInChI=1S/C16H30N4/c1-13(2)14-5-7-16(12-17,8-6-14)20(4)11-15-18-9-10-19(15)3/h9-10,13-14H,5-8,11-12,17H2,1-4H3
InChIKeyJOEGEMHNTPJHCD-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.40
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63014800) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63014800
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(CN)(N(C)Cc2nccn2C)CC1
InChIInChI=1S/C16H30N4/c1-13(2)14-5-7-16(12-17,8-6-14)20(4)11-15-18-9-10-19(15)3/h9-10,13-14H,5-8,11-12,17H2,1-4H3
InChIKeyJOEGEMHNTPJHCD-UHFFFAOYSA-N
XLogP2.40
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 63014800) is 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(CN)(N(C)Cc2nccn2C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is JOEGEMHNTPJHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-13(2)14-5-7-16(12-17,8-6-14)20(4)11-15-18-9-10-19(15)3/h9-10,13-14H,5-8,11-12,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63014800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).