(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide

C16H32N2O — CID 61174579

IUPAC(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-6-11(2)14(17)15(19)18-13-10-8-7-9-12(13)16(3,4)5/h11-14H,6-10,17H2,1-5H3,(H,18,19)/t11?,12?,13?,14-/m0/s1
InChIKeyDSCKBDITCJOTSB-XOZUOACSSA-N
MW268.44 g/mol
LogP3.08
Rot. Bonds4

About (2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide

(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide (PubChem CID 61174579) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
PubChem CID61174579
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-6-11(2)14(17)15(19)18-13-10-8-7-9-12(13)16(3,4)5/h11-14H,6-10,17H2,1-5H3,(H,18,19)/t11?,12?,13?,14-/m0/s1
InChIKeyDSCKBDITCJOTSB-XOZUOACSSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
CID 43699363
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
CID 119285417
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 106361554
(2S,3S)-2-amino-3-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281460
N-(2-tert-butylcyclohexyl)-2-methoxypropanamide
CID 112685778
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide
CID 64907204
(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103951343
2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide
CID 116675144
(2S)-2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpentanamide
CID 61173160

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide (CID 61174579) is (2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NC1CCCCC1C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide?
The InChIKey is DSCKBDITCJOTSB-XOZUOACSSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-11(2)14(17)15(19)18-13-10-8-7-9-12(13)16(3,4)5/h11-14H,6-10,17H2,1-5H3,(H,18,19)/t11?,12?,13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide?
(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide has a molecular weight of 268.44 g/mol, XLogP of 3.08, 4 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-tert-butylcyclohexyl)-3-methylpentanamide is sourced from PubChem (CID 61174579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).