N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide

C14H30N2O — CID 55243513

IUPACN-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(CN)CC(C)C
InChIInChI=1S/C14H30N2O/c1-5-7-8-12(6-2)14(17)16-13(10-15)9-11(3)4/h11-13H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyUSFZRZJCKIGUHY-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.69
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide

N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide (PubChem CID 55243513) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
PubChem CID55243513
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(CN)CC(C)C
InChIInChI=1S/C14H30N2O/c1-5-7-8-12(6-2)14(17)16-13(10-15)9-11(3)4/h11-13H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyUSFZRZJCKIGUHY-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide
CID 106180051
(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid
CID 78975573
N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide
CID 119588291
2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 65228765
N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide
CID 63755951
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-ethylhexanamide
CID 62651275
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide
CID 58709489

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide (CID 55243513) is N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide is CCCCC(CC)C(=O)NC(CN)CC(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide?
The InChIKey is USFZRZJCKIGUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-7-8-12(6-2)14(17)16-13(10-15)9-11(3)4/h11-13H,5-10,15H2,1-4H3,(H,16,17).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide?
N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide has a molecular weight of 242.41 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide is sourced from PubChem (CID 55243513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).