N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide

C11H24N2O — CID 120504739

IUPACN-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)N[C@@H](C)CN
InChIInChI=1S/C11H24N2O/c1-4-6-7-10(5-2)11(14)13-9(3)8-12/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9-,10?/m0/s1
InChIKeyOCKRBDBZEGDJDO-RGURZIINSA-N
MW200.33 g/mol
LogP1.67
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide

N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide (PubChem CID 120504739) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
PubChem CID120504739
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)N[C@@H](C)CN
InChIInChI=1S/C11H24N2O/c1-4-6-7-10(5-2)11(14)13-9(3)8-12/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9-,10?/m0/s1
InChIKeyOCKRBDBZEGDJDO-RGURZIINSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513
6-(2-ethylhexanoylamino)-2-methylheptanoic acid
CID 65285585
N-butan-2-yl-2-propylhexanamide
CID 173163059
N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide
CID 58709489
N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide
CID 106180051
(2S)-2-ethylhexanehydrazide
CID 40549650
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide
CID 114178195
N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 120508848
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-[2-(aminomethyl)butanoylamino]hexanoic acid
CID 65229403

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide (CID 120504739) is N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide is CCCCC(CC)C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide?
The InChIKey is OCKRBDBZEGDJDO-RGURZIINSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-6-7-10(5-2)11(14)13-9(3)8-12/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9-,10?/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide?
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide has a molecular weight of 200.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide is sourced from PubChem (CID 120504739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).