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

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Related Compounds

3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine
CID 79461682
N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidin-4-amine
CID 54902639
3,3-dimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclopentan-1-amine
CID 80692361
N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine
CID 65286954
N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine
CID 62437767
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839
5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43105975
2-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclopentan-1-amine
CID 113260136
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 63167031
N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 102968127
N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62413695
8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 54899357

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).