N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide

C15H30N2O — CID 106357091

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(CCN)C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-11-5-7-12(8-6-11)14(18)17-13(9-10-16)15(2,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyFXZCANWTPFRGRB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds4

About N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide

N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 106357091) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID106357091
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(CCN)C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-11-5-7-12(8-6-11)14(18)17-13(9-10-16)15(2,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyFXZCANWTPFRGRB-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
CID 106353098
N-heptan-4-yl-4-methylcyclohexane-1-carboxamide
CID 143046395
N-(1-iodo-3-methylbutan-2-yl)-4-methylcyclohexane-1-carboxamide
CID 107860044
N-(1-amino-4,4-dimethylpentan-3-yl)-2-cyclopentylacetamide
CID 114178189
N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 114177886
1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
CID 106350018
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide
CID 114176946
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide
CID 106356177
N-(1-amino-4,4-dimethylpentan-3-yl)-2-methoxy-2-methylpropanamide
CID 106357251
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide
CID 114178195

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide (CID 106357091) is N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC(CCN)C(C)(C)C)CC1.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is FXZCANWTPFRGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-5-7-12(8-6-11)14(18)17-13(9-10-16)15(2,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106357091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).