1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine

C13H27N3 — CID 80559918

IUPAC1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine
SMILESCC(C)C(CNC1CC(N)C1)N1CCCC1
InChIInChI=1S/C13H27N3/c1-10(2)13(16-5-3-4-6-16)9-15-12-7-11(14)8-12/h10-13,15H,3-9,14H2,1-2H3
InChIKeyRBDBEFCHDFEHIX-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.19
Rot. Bonds5

About 1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine

1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine (PubChem CID 80559918) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine
PubChem CID80559918
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine
SMILESCC(C)C(CNC1CC(N)C1)N1CCCC1
InChIInChI=1S/C13H27N3/c1-10(2)13(16-5-3-4-6-16)9-15-12-7-11(14)8-12/h10-13,15H,3-9,14H2,1-2H3
InChIKeyRBDBEFCHDFEHIX-UHFFFAOYSA-N
XLogP1.19
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-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

CID 24696719
CID 24696719
CID 17389968
CID 17389968
CID 19961995
CID 19961995
CID 58030188
CID 58030188
CID 21978903
CID 21978903
CID 43176112
CID 43176112
CID 13933139
CID 13933139
CID 14075474
CID 14075474
CID 14153712
CID 14153712
CID 14804464
CID 14804464
CID 17998752
CID 17998752
CID 19691238
CID 19691238

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine (CID 80559918) is 1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine is CC(C)C(CNC1CC(N)C1)N1CCCC1.
What is the InChIKey of 1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine?
The InChIKey is RBDBEFCHDFEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-10(2)13(16-5-3-4-6-16)9-15-12-7-11(14)8-12/h10-13,15H,3-9,14H2,1-2H3.
What are the key properties of 1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine?
1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80559918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).