4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide

C15H30N2O — CID 63840862

IUPAC4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C15H30N2O/c1-5-12(6-2)11(4)17-15(18)13-7-8-14(16)10(3)9-13/h10-14H,5-9,16H2,1-4H3,(H,17,18)
InChIKeyDIAHTOPNBKXJAZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds5

About 4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide

4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide (PubChem CID 63840862) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
PubChem CID63840862
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C15H30N2O/c1-5-12(6-2)11(4)17-15(18)13-7-8-14(16)10(3)9-13/h10-14H,5-9,16H2,1-4H3,(H,17,18)
InChIKeyDIAHTOPNBKXJAZ-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783259
4-amino-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62777735
4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 55115402
4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 103113502
4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
CID 62782736
4-amino-N-(1-cyclohexylethyl)-3-methylcyclohexane-1-carboxamide
CID 55116861
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 62782597
2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63841135
N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63842489
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026
cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173004

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide (CID 63840862) is 4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide is CCC(CC)C(C)NC(=O)C1CCC(N)C(C)C1.
What is the InChIKey of 4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is DIAHTOPNBKXJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-12(6-2)11(4)17-15(18)13-7-8-14(16)10(3)9-13/h10-14H,5-9,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide?
4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 63840862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).