1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine

C10H22N2 — CID 116960098

IUPAC1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine
SMILESCCC(CN)C(NC)C1CCC1
InChIInChI=1S/C10H22N2/c1-3-8(7-11)10(12-2)9-5-4-6-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyBSJNEJACEIRDMJ-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.36
Rot. Bonds5

About 1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine

1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine (PubChem CID 116960098) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine
PubChem CID116960098
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine
SMILESCCC(CN)C(NC)C1CCC1
InChIInChI=1S/C10H22N2/c1-3-8(7-11)10(12-2)9-5-4-6-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyBSJNEJACEIRDMJ-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine 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-[cyclopentyl(methylamino)methyl]butan-1-ol
CID 116959950
1-cyclopropyl-N-methyl-2-propylpentan-1-amine
CID 104994098
2-[cyclobutyl(methylamino)methyl]butanoic acid
CID 116959758
2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol
CID 116959958
1-cyclobutyl-2-ethyl-N'-methylpropane-1,3-diamine
CID 116946560
1-cyclobutyl-N,2,3-trimethylbutan-1-amine
CID 105049433
methyl 2-[cyclohexyl(methylamino)methyl]butanoate
CID 116960442
(1-cyclobutyl-2-propylpentyl)hydrazine
CID 105340075
1-cyclohexyl-1-N-methylpropane-1,2-diamine
CID 116948168
N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine
CID 79299262
3-amino-4-cyclobutyl-4-(methylamino)butanoic acid
CID 116957961
1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine?
The IUPAC name of 1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine (CID 116960098) is 1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine is CCC(CN)C(NC)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine?
The InChIKey is BSJNEJACEIRDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-8(7-11)10(12-2)9-5-4-6-9/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of 1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine?
1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine is sourced from PubChem (CID 116960098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).