N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine

C16H31N — CID 153393914

IUPACN-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine
SMILESC=C(NC(CC)C1(C)CC(C)C1)C(C)C(C)C
InChIInChI=1S/C16H31N/c1-8-15(16(7)9-12(4)10-16)17-14(6)13(5)11(2)3/h11-13,15,17H,6,8-10H2,1-5,7H3
InChIKeyMMBVXLSFZYCHAT-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.60
Rot. Bonds6

About N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine

N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine (PubChem CID 153393914) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine
PubChem CID153393914
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine
SMILESC=C(NC(CC)C1(C)CC(C)C1)C(C)C(C)C
InChIInChI=1S/C16H31N/c1-8-15(16(7)9-12(4)10-16)17-14(6)13(5)11(2)3/h11-13,15,17H,6,8-10H2,1-5,7H3
InChIKeyMMBVXLSFZYCHAT-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine?
The IUPAC name of N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine (CID 153393914) is N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine.
What is the SMILES notation for N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine?
The canonical SMILES for N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine is C=C(NC(CC)C1(C)CC(C)C1)C(C)C(C)C.
What is the InChIKey of N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine?
The InChIKey is MMBVXLSFZYCHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-8-15(16(7)9-12(4)10-16)17-14(6)13(5)11(2)3/h11-13,15,17H,6,8-10H2,1-5,7H3.
What are the key properties of N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine?
N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine is sourced from PubChem (CID 153393914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).