3-propylcyclohexane-1-carboxamide

C10H19NO — CID 141116974

IUPAC3-propylcyclohexane-1-carboxamide
SMILESCCCC1CCCC(C(N)=O)C1
InChIInChI=1S/C10H19NO/c1-2-4-8-5-3-6-9(7-8)10(11)12/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyLSYMBLZNPLTFNW-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.08
Rot. Bonds3

About 3-propylcyclohexane-1-carboxamide

3-propylcyclohexane-1-carboxamide (PubChem CID 141116974) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-propylcyclohexane-1-carboxamide
PubChem CID141116974
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-propylcyclohexane-1-carboxamide
SMILESCCCC1CCCC(C(N)=O)C1
InChIInChI=1S/C10H19NO/c1-2-4-8-5-3-6-9(7-8)10(11)12/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyLSYMBLZNPLTFNW-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S,3R)-3-propylcycloheptyl]ethanone
CID 165024764
trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane
CID 155697508
3-hexylcyclohexane-1-carboxylic acid
CID 66817282
1-chloro-3-propylcyclohexane
CID 64516368
3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
CID 119309150
1-ethyl-3-propylcyclohexane
CID 22129036
3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide
CID 62807652
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939
4-propylcyclononane-1-carboxylic acid
CID 123911377
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368

Frequently Asked Questions

What is the IUPAC name of 3-propylcyclohexane-1-carboxamide?
The IUPAC name of 3-propylcyclohexane-1-carboxamide (CID 141116974) is 3-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-propylcyclohexane-1-carboxamide?
The canonical SMILES for 3-propylcyclohexane-1-carboxamide is CCCC1CCCC(C(N)=O)C1.
What is the InChIKey of 3-propylcyclohexane-1-carboxamide?
The InChIKey is LSYMBLZNPLTFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-4-8-5-3-6-9(7-8)10(11)12/h8-9H,2-7H2,1H3,(H2,11,12).
What are the key properties of 3-propylcyclohexane-1-carboxamide?
3-propylcyclohexane-1-carboxamide has a molecular weight of 169.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 141116974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).