2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide

C13H26N2O — CID 107471602

IUPAC2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide
SMILESCN(CC1CC1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-13(2,3)7-11(8-14)12(16)15(4)9-10-5-6-10/h10-11H,5-9,14H2,1-4H3
InChIKeyUJGROTDHGJSXMX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.87
Rot. Bonds5

About 2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide

2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide (PubChem CID 107471602) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide
PubChem CID107471602
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide
SMILESCN(CC1CC1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-13(2,3)7-11(8-14)12(16)15(4)9-10-5-6-10/h10-11H,5-9,14H2,1-4H3
InChIKeyUJGROTDHGJSXMX-UHFFFAOYSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide
CID 107472079
2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide
CID 107472450
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide
CID 107472164
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylbutanamide
CID 62860792
2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
CID 107470989
(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234
2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
CID 107904481
N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine
CID 107473176
2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
CID 107471089
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
CID 119704436
2-(aminomethyl)-N,4,4-trimethyl-N-(4-methylpentan-2-yl)pentanamide
CID 107471541
2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 76988468

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide (CID 107471602) is 2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide is CN(CC1CC1)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide?
The InChIKey is UJGROTDHGJSXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)7-11(8-14)12(16)15(4)9-10-5-6-10/h10-11H,5-9,14H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide?
2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide is sourced from PubChem (CID 107471602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).