3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide

C13H26N2O — CID 62777350

IUPAC3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
SMILESCCC(C)N(CC)C(=O)C1CCCC(N)C1
InChIInChI=1S/C13H26N2O/c1-4-10(3)15(5-2)13(16)11-7-6-8-12(14)9-11/h10-12H,4-9,14H2,1-3H3
InChIKeyIAHFZJJGSDGHPF-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds4

About 3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide

3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide (PubChem CID 62777350) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
PubChem CID62777350
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
SMILESCCC(C)N(CC)C(=O)C1CCCC(N)C1
InChIInChI=1S/C13H26N2O/c1-4-10(3)15(5-2)13(16)11-7-6-8-12(14)9-11/h10-12H,4-9,14H2,1-3H3
InChIKeyIAHFZJJGSDGHPF-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,N-bis(2-methylpropyl)cyclohexane-1-carboxamide
CID 55134536
3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 62782504
3-amino-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62776661
3-[butan-2-yl(ethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549713
3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119709118
4-(aminomethyl)-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62808177
3-amino-N-butan-2-yl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 66010253
3-amino-N-cyclohexyl-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119674160
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 97159337
ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate
CID 63046601
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 55135498

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide (CID 62777350) is 3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide is CCC(C)N(CC)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide?
The InChIKey is IAHFZJJGSDGHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-10(3)15(5-2)13(16)11-7-6-8-12(14)9-11/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide?
3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 62777350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).