1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine

C14H26N4 — CID 55148833

IUPAC1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
SMILESCN(Cc1nccn1C)C1(CN)CCCCCC1
InChIInChI=1S/C14H26N4/c1-17-10-9-16-13(17)11-18(2)14(12-15)7-5-3-4-6-8-14/h9-10H,3-8,11-12,15H2,1-2H3
InChIKeyFCAGHXPYSLNUDJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.90
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine

1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine (PubChem CID 55148833) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
PubChem CID55148833
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
SMILESCN(Cc1nccn1C)C1(CN)CCCCCC1
InChIInChI=1S/C14H26N4/c1-17-10-9-16-13(17)11-18(2)14(12-15)7-5-3-4-6-8-14/h9-10H,3-8,11-12,15H2,1-2H3
InChIKeyFCAGHXPYSLNUDJ-UHFFFAOYSA-N
XLogP1.90
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine (CID 55148833) is 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine is CN(Cc1nccn1C)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine?
The InChIKey is FCAGHXPYSLNUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-17-10-9-16-13(17)11-18(2)14(12-15)7-5-3-4-6-8-14/h9-10H,3-8,11-12,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine?
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.90, 4 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]cycloheptan-1-amine is sourced from PubChem (CID 55148833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).