(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide

C11H22N2O — CID 103831775

IUPAC(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCCC1CC1
InChIInChI=1S/C11H22N2O/c1-2-3-4-10(12)11(14)13-8-7-9-5-6-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeySXYQSJNUJFYNQR-JTQLQIEISA-N
MW198.31 g/mol
LogP1.42
Rot. Bonds7

About (2S)-2-amino-N-(2-cyclopropylethyl)hexanamide

(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide (PubChem CID 103831775) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyclopropylethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide
PubChem CID103831775
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCCC1CC1
InChIInChI=1S/C11H22N2O/c1-2-3-4-10(12)11(14)13-8-7-9-5-6-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeySXYQSJNUJFYNQR-JTQLQIEISA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-cyclobutylethyl)pentanamide
CID 107570634
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012
2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide
CID 113304830
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954
(2S)-2-amino-N-(2-cyclopentyloxyethyl)hexanamide
CID 98585845
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyclopropylethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyclopropylethyl)hexanamide (CID 103831775) is (2S)-2-amino-N-(2-cyclopropylethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyclopropylethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyclopropylethyl)hexanamide is CCCC[C@H](N)C(=O)NCCC1CC1.
What is the InChIKey of (2S)-2-amino-N-(2-cyclopropylethyl)hexanamide?
The InChIKey is SXYQSJNUJFYNQR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-4-10(12)11(14)13-8-7-9-5-6-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyclopropylethyl)hexanamide?
(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide has a molecular weight of 198.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyclopropylethyl)hexanamide is sourced from PubChem (CID 103831775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).