N-(4-prop-2-ynylcyclohexyl)formamide

C10H15NO — CID 163412499

IUPACN-(4-prop-2-ynylcyclohexyl)formamide
SMILESC#CCC1CCC(NC=O)CC1
InChIInChI=1S/C10H15NO/c1-2-3-9-4-6-10(7-5-9)11-8-12/h1,8-10H,3-7H2,(H,11,12)
InChIKeyABQGIWHPVHALHU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.31
Rot. Bonds3

About N-(4-prop-2-ynylcyclohexyl)formamide

N-(4-prop-2-ynylcyclohexyl)formamide (PubChem CID 163412499) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(4-prop-2-ynylcyclohexyl)formamide.

Molecular Properties

Compound NameN-(4-prop-2-ynylcyclohexyl)formamide
PubChem CID163412499
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(4-prop-2-ynylcyclohexyl)formamide
SMILESC#CCC1CCC(NC=O)CC1
InChIInChI=1S/C10H15NO/c1-2-3-9-4-6-10(7-5-9)11-8-12/h1,8-10H,3-7H2,(H,11,12)
InChIKeyABQGIWHPVHALHU-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-4-prop-2-ynylcyclohexan-1-amine
CID 146667366
N-(4-pentylcyclohexyl)formamide
CID 118946669
methyl 4-formamidocyclohexane-1-carboxylate
CID 89096292
N-cyclohexylformamide;ethane
CID 143536975
sodium;N-cyclohexylformamide;hydride
CID 173020638
methane;N-(4-oxocyclohexyl)formamide
CID 143383333
N-(1-propanoylpiperidin-4-yl)formamide
CID 87856562
3-but-3-ynyl-N-methylcyclopentan-1-amine
CID 64505187
N-(1-formamidopiperidin-4-yl)formamide
CID 174842016
4-prop-2-ynylazepane
CID 83261379
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
cyclohexane-1,4-diamine;1-N,4-N-dimethylcyclohexane-1,4-diamine;N-(4-formamidocyclohexyl)formamide;formic acid;oxolane
CID 158983617

Frequently Asked Questions

What is the IUPAC name of N-(4-prop-2-ynylcyclohexyl)formamide?
The IUPAC name of N-(4-prop-2-ynylcyclohexyl)formamide (CID 163412499) is N-(4-prop-2-ynylcyclohexyl)formamide.
What is the SMILES notation for N-(4-prop-2-ynylcyclohexyl)formamide?
The canonical SMILES for N-(4-prop-2-ynylcyclohexyl)formamide is C#CCC1CCC(NC=O)CC1.
What is the InChIKey of N-(4-prop-2-ynylcyclohexyl)formamide?
The InChIKey is ABQGIWHPVHALHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-9-4-6-10(7-5-9)11-8-12/h1,8-10H,3-7H2,(H,11,12).
What are the key properties of N-(4-prop-2-ynylcyclohexyl)formamide?
N-(4-prop-2-ynylcyclohexyl)formamide has a molecular weight of 165.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-2-ynylcyclohexyl)formamide is sourced from PubChem (CID 163412499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).