3-amino-N-(5,5-dimethylhexyl)propanamide

C11H24N2O — CID 119318983

IUPAC3-amino-N-(5,5-dimethylhexyl)propanamide
SMILESCC(C)(C)CCCCNC(=O)CCN
InChIInChI=1S/C11H24N2O/c1-11(2,3)7-4-5-9-13-10(14)6-8-12/h4-9,12H2,1-3H3,(H,13,14)
InChIKeyAUPKMRSQVUCBNM-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.67
Rot. Bonds6

About 3-amino-N-(5,5-dimethylhexyl)propanamide

3-amino-N-(5,5-dimethylhexyl)propanamide (PubChem CID 119318983) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-amino-N-(5,5-dimethylhexyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(5,5-dimethylhexyl)propanamide
PubChem CID119318983
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-amino-N-(5,5-dimethylhexyl)propanamide
SMILESCC(C)(C)CCCCNC(=O)CCN
InChIInChI=1S/C11H24N2O/c1-11(2,3)7-4-5-9-13-10(14)6-8-12/h4-9,12H2,1-3H3,(H,13,14)
InChIKeyAUPKMRSQVUCBNM-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915
tert-butyl N-[4-(3-aminopropanoylamino)butyl]carbamate
CID 175666351
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-butyl-10,10-dimethylundecanamide
CID 19922141
1-aminopropan-2-ol;6-(6,6-dimethylheptanoylamino)hexanoic acid
CID 138402047
5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium)
CID 158855194
N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
CID 119775744
11-(3-aminopropanoylamino)undecanoic acid;ethane
CID 170598343
11-(3-aminopropanoylamino)undecanoic acid
CID 170417456

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,5-dimethylhexyl)propanamide?
The IUPAC name of 3-amino-N-(5,5-dimethylhexyl)propanamide (CID 119318983) is 3-amino-N-(5,5-dimethylhexyl)propanamide.
What is the SMILES notation for 3-amino-N-(5,5-dimethylhexyl)propanamide?
The canonical SMILES for 3-amino-N-(5,5-dimethylhexyl)propanamide is CC(C)(C)CCCCNC(=O)CCN.
What is the InChIKey of 3-amino-N-(5,5-dimethylhexyl)propanamide?
The InChIKey is AUPKMRSQVUCBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)7-4-5-9-13-10(14)6-8-12/h4-9,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-N-(5,5-dimethylhexyl)propanamide?
3-amino-N-(5,5-dimethylhexyl)propanamide has a molecular weight of 200.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,5-dimethylhexyl)propanamide is sourced from PubChem (CID 119318983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).