N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide

C14H27NO — CID 12769383

IUPACN,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)CC1(C(=O)N(C)C)CCCCC1C
InChIInChI=1S/C14H27NO/c1-11(2)10-14(13(16)15(4)5)9-7-6-8-12(14)3/h11-12H,6-10H2,1-5H3
InChIKeyGLAFIDIEIMZAPT-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.32
Rot. Bonds3

About N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide

N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide (PubChem CID 12769383) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide
PubChem CID12769383
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)CC1(C(=O)N(C)C)CCCCC1C
InChIInChI=1S/C14H27NO/c1-11(2)10-14(13(16)15(4)5)9-7-6-8-12(14)3/h11-12H,6-10H2,1-5H3
InChIKeyGLAFIDIEIMZAPT-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide (CID 12769383) is N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide is CC(C)CC1(C(=O)N(C)C)CCCCC1C.
What is the InChIKey of N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide?
The InChIKey is GLAFIDIEIMZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)10-14(13(16)15(4)5)9-7-6-8-12(14)3/h11-12H,6-10H2,1-5H3.
What are the key properties of N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide?
N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide has a molecular weight of 225.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-(2-methylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 12769383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).