2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide

C15H31N3O — CID 62007529

IUPAC2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C1(CN)CCCCCC1
InChIInChI=1S/C15H31N3O/c1-4-18(11-14(19)17-13(2)3)15(12-16)9-7-5-6-8-10-15/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyVUNZMGIAJLVFCT-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.88
Rot. Bonds6

About 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide

2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide (PubChem CID 62007529) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
PubChem CID62007529
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C1(CN)CCCCCC1
InChIInChI=1S/C15H31N3O/c1-4-18(11-14(19)17-13(2)3)15(12-16)9-7-5-6-8-10-15/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyVUNZMGIAJLVFCT-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide 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

2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide
CID 62008327
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62008536
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
CID 62007946
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
CID 62007948
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
CID 62006174
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
CID 62010140
3-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-propan-2-ylpropanamide
CID 55098337
2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
CID 62006019
3-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-propan-2-ylpropanamide
CID 62624505
3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide
CID 62008325

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide (CID 62007529) is 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C1(CN)CCCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is VUNZMGIAJLVFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18(11-14(19)17-13(2)3)15(12-16)9-7-5-6-8-10-15/h13H,4-12,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide?
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62007529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).