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

C13H28N2O — CID 107470989

IUPAC2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
SMILESCCCCN(C)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-7-8-15(5)12(16)11(10-14)9-13(2,3)4/h11H,6-10,14H2,1-5H3
InChIKeyMBUUQRUHCFKIKJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.26
Rot. Bonds6

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

2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide (PubChem CID 107470989) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
PubChem CID107470989
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
SMILESCCCCN(C)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-7-8-15(5)12(16)11(10-14)9-13(2,3)4/h11H,6-10,14H2,1-5H3
InChIKeyMBUUQRUHCFKIKJ-UHFFFAOYSA-N
XLogP2.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide
CID 107471112
2-(aminomethyl)-N-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471569
2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
CID 107472719
2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide
CID 107471602
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide
CID 107472450
3-amino-2-hydroxy-N-methyl-N-pentylpropanamide
CID 115180815
N-butyl-N,2-dimethylpropanamide
CID 21413636
2-(aminomethyl)-N,4,4-trimethyl-N-(4-methylpentan-2-yl)pentanamide
CID 107471541
2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide
CID 107472079
2-amino-N-butyl-N-methylheptanamide;hydrochloride
CID 140973823
2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
CID 107471089

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide (CID 107470989) is 2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide is CCCCN(C)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide?
The InChIKey is MBUUQRUHCFKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-7-8-15(5)12(16)11(10-14)9-13(2,3)4/h11H,6-10,14H2,1-5H3.
What are the key properties of 2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide?
2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide is sourced from PubChem (CID 107470989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).