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

C15H30N2O — CID 106357136

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NC(CCN)C(C)(C)C)CCCCC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)12(8-11-16)17-13(18)15(4)9-6-5-7-10-15/h12H,5-11,16H2,1-4H3,(H,17,18)
InChIKeyNPAVSMKMPXNEIK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.84
Rot. Bonds4

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

N-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106357136) 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)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID106357136
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NC(CCN)C(C)(C)C)CCCCC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)12(8-11-16)17-13(18)15(4)9-6-5-7-10-15/h12H,5-11,16H2,1-4H3,(H,17,18)
InChIKeyNPAVSMKMPXNEIK-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide (CID 106357136) is N-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NC(CCN)C(C)(C)C)CCCCC1.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is NPAVSMKMPXNEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)12(8-11-16)17-13(18)15(4)9-6-5-7-10-15/h12H,5-11,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.84, 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)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106357136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).