N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide

C15H32N2O — CID 114178195

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-6-8-9-12(7-2)14(18)17-13(10-11-16)15(3,4)5/h12-13H,6-11,16H2,1-5H3,(H,17,18)
InChIKeyVFZYPPNUTMFSSU-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.08
Rot. Bonds8

About N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide

N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide (PubChem CID 114178195) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide
PubChem CID114178195
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-6-8-9-12(7-2)14(18)17-13(10-11-16)15(3,4)5/h12-13H,6-11,16H2,1-5H3,(H,17,18)
InChIKeyVFZYPPNUTMFSSU-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide
CID 58709489
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
(2S)-2-ethylhexanehydrazide
CID 40549650
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide
CID 114176937
N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513
2,2-dimethylheptan-3-ylcarbamic acid
CID 175434707
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-[2-(aminomethyl)butanoylamino]hexanoic acid
CID 65229403
5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid
CID 43125486
N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide
CID 106180051

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide (CID 114178195) is N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide is CCCCC(CC)C(=O)NC(CCN)C(C)(C)C.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide?
The InChIKey is VFZYPPNUTMFSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-8-9-12(7-2)14(18)17-13(10-11-16)15(3,4)5/h12-13H,6-11,16H2,1-5H3,(H,17,18).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide has a molecular weight of 256.43 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide is sourced from PubChem (CID 114178195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).