1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide

C15H29N3O — CID 115448375

IUPAC1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide
SMILESCC(C)C(CNC(=O)C1(CN)CCC1)N1CCCC1
InChIInChI=1S/C15H29N3O/c1-12(2)13(18-8-3-4-9-18)10-17-14(19)15(11-16)6-5-7-15/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyQESGUFPNVJIZOD-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.35
Rot. Bonds6

About 1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide (PubChem CID 115448375) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide
PubChem CID115448375
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide
SMILESCC(C)C(CNC(=O)C1(CN)CCC1)N1CCCC1
InChIInChI=1S/C15H29N3O/c1-12(2)13(18-8-3-4-9-18)10-17-14(19)15(11-16)6-5-7-15/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyQESGUFPNVJIZOD-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide
CID 115294618
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 80543957
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide
CID 63141311
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 82012268
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid
CID 115448625
3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 106112457
1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588258
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 62639167

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide (CID 115448375) is 1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide is CC(C)C(CNC(=O)C1(CN)CCC1)N1CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide?
The InChIKey is QESGUFPNVJIZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)13(18-8-3-4-9-18)10-17-14(19)15(11-16)6-5-7-15/h12-13H,3-11,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115448375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).