5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide

C17H34N2O — CID 102706657

IUPAC5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide
SMILESCCCCCCC(C)NC(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C17H34N2O/c1-5-6-7-8-9-14(4)19-17(20)15-11-16(18)13(3)10-12(15)2/h12-16H,5-11,18H2,1-4H3,(H,19,20)
InChIKeyTWABWDILTJBHCX-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.47
Rot. Bonds7

About 5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide

5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide (PubChem CID 102706657) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide
PubChem CID102706657
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide
SMILESCCCCCCC(C)NC(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C17H34N2O/c1-5-6-7-8-9-14(4)19-17(20)15-11-16(18)13(3)10-12(15)2/h12-16H,5-11,18H2,1-4H3,(H,19,20)
InChIKeyTWABWDILTJBHCX-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(heptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791589
4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
CID 63714459
1-N,3-N,5-N-tri(octan-2-yl)cyclohexane-1,3,5-tricarboxamide
CID 102292990
5-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706894
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706911
cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347
3-(octan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784683
5-amino-2,4-dimethyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 102706892
2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide
CID 166924939
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706891
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide (CID 102706657) is 5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide is CCCCCCC(C)NC(=O)C1CC(N)C(C)CC1C.
What is the InChIKey of 5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide?
The InChIKey is TWABWDILTJBHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-6-7-8-9-14(4)19-17(20)15-11-16(18)13(3)10-12(15)2/h12-16H,5-11,18H2,1-4H3,(H,19,20).
What are the key properties of 5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide?
5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide has a molecular weight of 282.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).