N,N-bis(2-methylpropyl)cyclohexanecarboxamide

C15H29NO — CID 896672

IUPACN,N-bis(2-methylpropyl)cyclohexanecarboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-12(2)10-16(11-13(3)4)15(17)14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3
InChIKeyWKULOGYXFABEKO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.71
Rot. Bonds5

About N,N-bis(2-methylpropyl)cyclohexanecarboxamide

N,N-bis(2-methylpropyl)cyclohexanecarboxamide (PubChem CID 896672) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)cyclohexanecarboxamide
PubChem CID896672
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN,N-bis(2-methylpropyl)cyclohexanecarboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-12(2)10-16(11-13(3)4)15(17)14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3
InChIKeyWKULOGYXFABEKO-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pexantel
CID 667497
Piperidine, 1-(cyclohexylcarbonyl)-2,6-dimethyl-
CID 199799
Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Cyclohexyl(2-methylpiperidin-1-yl)methanone
CID 558510
N-butylcyclohexanecarboxamide
CID 3544722
Hexanamide, N,N,2-triethyl-
CID 112187
3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
CID 2582372
Cyclohexyl(4-methyl-1,4-diazepan-1-yl)methanone
CID 2373234
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
N,N-Diethylcyclohexanepropanamide
CID 95064
Valeramide, N,N,2-tripropyl-
CID 201025
Piperidine, 1-(2-propylvaleryl)-
CID 201026

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)cyclohexanecarboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)cyclohexanecarboxamide (CID 896672) is N,N-bis(2-methylpropyl)cyclohexanecarboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)cyclohexanecarboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)cyclohexanecarboxamide is CC(C)CN(CC(C)C)C(=O)C1CCCCC1.
What is the InChIKey of N,N-bis(2-methylpropyl)cyclohexanecarboxamide?
The InChIKey is WKULOGYXFABEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)10-16(11-13(3)4)15(17)14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)cyclohexanecarboxamide?
N,N-bis(2-methylpropyl)cyclohexanecarboxamide has a molecular weight of 239.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)cyclohexanecarboxamide is sourced from PubChem (CID 896672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).