2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide

C14H25N3O2 — CID 79401536

IUPAC2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C14H25N3O2/c15-9-10-3-1-4-12(10)14(19)16-8-2-5-13(18)17-11-6-7-11/h10-12H,1-9,15H2,(H,16,19)(H,17,18)
InChIKeyOFISSEUQKWCZMT-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.54
Rot. Bonds7

About 2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide (PubChem CID 79401536) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide
PubChem CID79401536
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C14H25N3O2/c15-9-10-3-1-4-12(10)14(19)16-8-2-5-13(18)17-11-6-7-11/h10-12H,1-9,15H2,(H,16,19)(H,17,18)
InChIKeyOFISSEUQKWCZMT-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107317629
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066146
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
CID 115747505
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 113327463
2-(aminomethyl)-N-[2-(methylsulfamoyl)ethyl]cyclopentane-1-carboxamide
CID 114175192
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide
CID 79401380
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
CID 79401001
1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide
CID 81168736
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66004226

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide (CID 79401536) is 2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide is NCC1CCCC1C(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide?
The InChIKey is OFISSEUQKWCZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-9-10-3-1-4-12(10)14(19)16-8-2-5-13(18)17-11-6-7-11/h10-12H,1-9,15H2,(H,16,19)(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79401536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).