1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine

C14H30N2 — CID 79068981

IUPAC1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(N)CC1CCC1
InChIInChI=1S/C14H30N2/c1-5-14(4,16(6-2)7-3)13(15)11-12-9-8-10-12/h12-13H,5-11,15H2,1-4H3
InChIKeyJRFBBNLOPHEVQE-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds7

About 1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine

1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine (PubChem CID 79068981) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine.

Molecular Properties

Compound Name1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
PubChem CID79068981
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(N)CC1CCC1
InChIInChI=1S/C14H30N2/c1-5-14(4,16(6-2)7-3)13(15)11-12-9-8-10-12/h12-13H,5-11,15H2,1-4H3
InChIKeyJRFBBNLOPHEVQE-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-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

3-N,3-N-diethyl-3-methyl-1-(oxan-4-yl)pentane-2,3-diamine
CID 79064633
1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069292
1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
CID 116757435
1-cyclopentyl-3,3-difluorobutan-2-amine
CID 84656075
1-(3,4-dimethylcyclohexyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79068816
3-N,3-N-diethyl-3-methylhept-6-yne-3,4-diamine
CID 79068904
3-N,3-N-diethyl-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butane-2,3-diamine
CID 79619573
1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79055721
1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 116506268
1-cyclopropyl-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79068683
1-cyclobutyl-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239402
1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
CID 103717838

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
The IUPAC name of 1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine (CID 79068981) is 1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine.
What is the SMILES notation for 1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
The canonical SMILES for 1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine is CCN(CC)C(C)(CC)C(N)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
The InChIKey is JRFBBNLOPHEVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14(4,16(6-2)7-3)13(15)11-12-9-8-10-12/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine is sourced from PubChem (CID 79068981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).