N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide

C13H28N2O — CID 82987576

IUPACN-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC(C)(C)CN
InChIInChI=1S/C13H28N2O/c1-5-7-11(8-6-2)12(16)15-10-13(3,4)9-14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyJQLCUONNNKWRJX-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide

N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide (PubChem CID 82987576) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
PubChem CID82987576
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC(C)(C)CN
InChIInChI=1S/C13H28N2O/c1-5-7-11(8-6-2)12(16)15-10-13(3,4)9-14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyJQLCUONNNKWRJX-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2,4-dimethylpentyl)-2-propylpentanamide
CID 82986949
2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 114167201
N-(3-amino-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115365699
N-(5-amino-2,2-dimethylpentyl)-2-methylpentanamide
CID 106140775
N-[(2S)-2-hydroxypropyl]-2-propylpentanamide
CID 10058650
N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide
CID 90523339
N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
CID 82987241
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
ethyl 3-(2-propylpentanoylamino)propanoate
CID 23363631
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide
CID 103813226
N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
CID 115365004
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
CID 82986917

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide (CID 82987576) is N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide is CCCC(CCC)C(=O)NCC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide?
The InChIKey is JQLCUONNNKWRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-7-11(8-6-2)12(16)15-10-13(3,4)9-14/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide?
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide is sourced from PubChem (CID 82987576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).