1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine

C15H32N2O — CID 65090043

IUPAC1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine
SMILESCOCCNC1(CN)CCCC(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-14(2,3)13-6-5-8-15(12-16,9-7-13)17-10-11-18-4/h13,17H,5-12,16H2,1-4H3
InChIKeyJMQBVQPOFRFPSO-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.55
Rot. Bonds5

About 1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine

1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine (PubChem CID 65090043) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine
PubChem CID65090043
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine
SMILESCOCCNC1(CN)CCCC(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-14(2,3)13-6-5-8-15(12-16,9-7-13)17-10-11-18-4/h13,17H,5-12,16H2,1-4H3
InChIKeyJMQBVQPOFRFPSO-UHFFFAOYSA-N
XLogP2.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)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)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine (CID 65090043) is 1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine is COCCNC1(CN)CCCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine?
The InChIKey is JMQBVQPOFRFPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-14(2,3)13-6-5-8-15(12-16,9-7-13)17-10-11-18-4/h13,17H,5-12,16H2,1-4H3.
What are the key properties of 1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine?
1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-tert-butyl-N-(2-methoxyethyl)cycloheptan-1-amine is sourced from PubChem (CID 65090043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).