1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide

C12H23N3O2 — CID 115448338

IUPAC1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)C1(CN)CCC1
InChIInChI=1S/C12H23N3O2/c1-9(2)10(16)14-6-7-15-11(17)12(8-13)4-3-5-12/h9H,3-8,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUKJXSUJQKZXULG-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.00
Rot. Bonds6

About 1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide (PubChem CID 115448338) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
PubChem CID115448338
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)C1(CN)CCC1
InChIInChI=1S/C12H23N3O2/c1-9(2)10(16)14-6-7-15-11(17)12(8-13)4-3-5-12/h9H,3-8,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUKJXSUJQKZXULG-UHFFFAOYSA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.00
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

1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
1-(aminomethyl)-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 80587363
1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide
CID 80588209
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
CID 114140196
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 106011493
1-(aminomethyl)-N-[2-(diethylamino)ethyl]cyclopentane-1-carboxamide
CID 55037810
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide (CID 115448338) is 1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide is CC(C)C(=O)NCCNC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide?
The InChIKey is UKJXSUJQKZXULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)10(16)14-6-7-15-11(17)12(8-13)4-3-5-12/h9H,3-8,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115448338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).