1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine

C15H25N3O — CID 106572492

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CC1CC2CCC1C2
InChIInChI=1S/C15H25N3O/c1-19-8-2-5-16-15-17-6-7-18(15)11-14-10-12-3-4-13(14)9-12/h6-7,12-14H,2-5,8-11H2,1H3,(H,16,17)
InChIKeyBUAYUMWWBCNJDT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.77
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine

1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106572492) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106572492
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CC1CC2CCC1C2
InChIInChI=1S/C15H25N3O/c1-19-8-2-5-16-15-17-6-7-18(15)11-14-10-12-3-4-13(14)9-12/h6-7,12-14H,2-5,8-11H2,1H3,(H,16,17)
InChIKeyBUAYUMWWBCNJDT-UHFFFAOYSA-N
XLogP2.77
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106557775
N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571770
1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine
CID 106572452
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567498
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106574608
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine (CID 106572492) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is BUAYUMWWBCNJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-19-8-2-5-16-15-17-6-7-18(15)11-14-10-12-3-4-13(14)9-12/h6-7,12-14H,2-5,8-11H2,1H3,(H,16,17).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106572492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).