(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide

C14H30N2O — CID 119796588

IUPAC(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)CCC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-10(2)9-12(15)13(17)16-11(3)7-8-14(4,5)6/h10-12H,7-9,15H2,1-6H3,(H,16,17)/t11?,12-/m0/s1
InChIKeySRQZPEMSWRQNDV-KIYNQFGBSA-N
MW242.41 g/mol
LogP2.69
Rot. Bonds6

About (2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide

(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide (PubChem CID 119796588) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
PubChem CID119796588
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)CCC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-10(2)9-12(15)13(17)16-11(3)7-8-14(4,5)6/h10-12H,7-9,15H2,1-6H3,(H,16,17)/t11?,12-/m0/s1
InChIKeySRQZPEMSWRQNDV-KIYNQFGBSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
CID 115740467
(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide
CID 103812202
5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
CID 104903890
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide
CID 114176965
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 104873418
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
CID 104921655
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
tert-butyl (2S)-2-[[(2S)-2-amino-5,5-dimethylhexanoyl]amino]propanoate
CID 166567820

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide (CID 119796588) is (2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC(C)CCC(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide?
The InChIKey is SRQZPEMSWRQNDV-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H30N2O/c1-10(2)9-12(15)13(17)16-11(3)7-8-14(4,5)6/h10-12H,7-9,15H2,1-6H3,(H,16,17)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide?
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide has a molecular weight of 242.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 119796588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).