2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide

C14H28N2O — CID 79805944

IUPAC2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
SMILESCCC1CCC(CNC(=O)C(C)(N)CC)CC1
InChIInChI=1S/C14H28N2O/c1-4-11-6-8-12(9-7-11)10-16-13(17)14(3,15)5-2/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyFVVYUAHKAKCRME-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.45
Rot. Bonds5

About 2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide

2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide (PubChem CID 79805944) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
PubChem CID79805944
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
SMILESCCC1CCC(CNC(=O)C(C)(N)CC)CC1
InChIInChI=1S/C14H28N2O/c1-4-11-6-8-12(9-7-11)10-16-13(17)14(3,15)5-2/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyFVVYUAHKAKCRME-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106135461
2-amino-N-(cyclopentylmethyl)-2-methylbutanamide
CID 79796793
2-amino-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 79797743
N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797123
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797487
2-amino-2-cyclopropyl-N-(cyclopropylmethyl)propanamide
CID 60867867
2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride
CID 119741898
2-amino-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79810605
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135736
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
2,2-dichloro-N-(cyclopropylmethyl)propanamide
CID 126988443

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide (CID 79805944) is 2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide is CCC1CCC(CNC(=O)C(C)(N)CC)CC1.
What is the InChIKey of 2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide?
The InChIKey is FVVYUAHKAKCRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-11-6-8-12(9-7-11)10-16-13(17)14(3,15)5-2/h11-12H,4-10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide?
2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide has a molecular weight of 240.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 79805944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).