1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide

C10H19N3O2 — CID 80587363

IUPAC1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
SMILESCNC(=O)CCNC(=O)C1(CN)CCC1
InChIInChI=1S/C10H19N3O2/c1-12-8(14)3-6-13-9(15)10(7-11)4-2-5-10/h2-7,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyWQWOQJVKQFMDBE-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.63
Rot. Bonds5

About 1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide (PubChem CID 80587363) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
PubChem CID80587363
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
SMILESCNC(=O)CCNC(=O)C1(CN)CCC1
InChIInChI=1S/C10H19N3O2/c1-12-8(14)3-6-13-9(15)10(7-11)4-2-5-10/h2-7,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyWQWOQJVKQFMDBE-UHFFFAOYSA-N
XLogP-0.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide
CID 79394609
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338
1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 62096994
1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide
CID 80588317
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide
CID 80588209
1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide
CID 115442026
1-(aminomethyl)-N-[2-(diethylamino)ethyl]cyclopentane-1-carboxamide
CID 55037810
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
1-(aminomethyl)-N-(2,2,3,3-tetramethylbutyl)cyclobutane-1-carboxamide
CID 115183598

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide (CID 80587363) is 1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide is CNC(=O)CCNC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide?
The InChIKey is WQWOQJVKQFMDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-12-8(14)3-6-13-9(15)10(7-11)4-2-5-10/h2-7,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80587363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).