1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide

C13H26N2O — CID 80587591

IUPAC1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1(CN)CC1
InChIInChI=1S/C13H26N2O/c1-11(2,3)8-12(4,5)15-10(16)13(9-14)6-7-13/h6-9,14H2,1-5H3,(H,15,16)
InChIKeyYLKSFLCHJMFYDY-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds4

About 1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide (PubChem CID 80587591) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
PubChem CID80587591
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1(CN)CC1
InChIInChI=1S/C13H26N2O/c1-11(2,3)8-12(4,5)15-10(16)13(9-14)6-7-13/h6-9,14H2,1-5H3,(H,15,16)
InChIKeyYLKSFLCHJMFYDY-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)cyclopentane-1-carboxamide
CID 115434759
1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide
CID 23621833
3-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-methylbutanoic acid
CID 113310140
3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
CID 55167066
1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
CID 80596883
4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide
CID 114174162
1-(aminomethyl)-N-(2-methylbut-3-yn-2-yl)cyclohexane-1-carboxamide
CID 115437898
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874
3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 17381763
(2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927172
N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 22558493
2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 115441849

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide (CID 80587591) is 1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide is CC(C)(C)CC(C)(C)NC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is YLKSFLCHJMFYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2,3)8-12(4,5)15-10(16)13(9-14)6-7-13/h6-9,14H2,1-5H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80587591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).