2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide

C15H30N2O — CID 43699363

IUPAC2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)13(16)14(18)17-12-9-7-6-8-11(12)15(3,4)5/h10-13H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyREXYOFGDAOQJKA-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds3

About 2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide

2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide (PubChem CID 43699363) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
PubChem CID43699363
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)13(16)14(18)17-12-9-7-6-8-11(12)15(3,4)5/h10-13H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyREXYOFGDAOQJKA-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
CID 119285417
(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
CID 61174579
N-(2-tert-butylcyclohexyl)-2-methoxypropanamide
CID 112685778
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-amino-3-methylbutanamide
CID 96554628
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
(2R)-2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361381
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456
2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide
CID 116675144
(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61178090
N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 124857090
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide (CID 43699363) is 2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide is CC(C)C(N)C(=O)NC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide?
The InChIKey is REXYOFGDAOQJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-10(2)13(16)14(18)17-12-9-7-6-8-11(12)15(3,4)5/h10-13H,6-9,16H2,1-5H3,(H,17,18).
What are the key properties of 2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide?
2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide is sourced from PubChem (CID 43699363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).