N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine

C13H28N2 — CID 81169937

IUPACN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)CCC1(CN)CCC1
InChIInChI=1S/C13H28N2/c1-5-12(2,3)15(4)10-9-13(11-14)7-6-8-13/h5-11,14H2,1-4H3
InChIKeyVIQJUZXIGNENKD-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds6

About N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine

N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine (PubChem CID 81169937) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine
PubChem CID81169937
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)CCC1(CN)CCC1
InChIInChI=1S/C13H28N2/c1-5-12(2,3)15(4)10-9-13(11-14)7-6-8-13/h5-11,14H2,1-4H3
InChIKeyVIQJUZXIGNENKD-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-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-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine (CID 81169937) is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine is CCC(C)(C)N(C)CCC1(CN)CCC1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine?
The InChIKey is VIQJUZXIGNENKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-12(2,3)15(4)10-9-13(11-14)7-6-8-13/h5-11,14H2,1-4H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine?
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 81169937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).