3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide

C15H29NO2 — CID 163396379

IUPAC3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide
SMILESCC1CCC(N(C)C=O)CC1.CC1CCC(O)C1
InChIInChI=1S/C9H17NO.C6H12O/c1-8-3-5-9(6-4-8)10(2)7-11;1-5-2-3-6(7)4-5/h7-9H,3-6H2,1-2H3;5-7H,2-4H2,1H3
InChIKeyRJRVOBQZSAVZDK-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.82
Rot. Bonds2

About 3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide

3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide (PubChem CID 163396379) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide.

Molecular Properties

Compound Name3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide
PubChem CID163396379
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide
SMILESCC1CCC(N(C)C=O)CC1.CC1CCC(O)C1
InChIInChI=1S/C9H17NO.C6H12O/c1-8-3-5-9(6-4-8)10(2)7-11;1-5-2-3-6(7)4-5/h7-9H,3-6H2,1-2H3;5-7H,2-4H2,1H3
InChIKeyRJRVOBQZSAVZDK-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide?
The IUPAC name of 3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide (CID 163396379) is 3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide.
What is the SMILES notation for 3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide?
The canonical SMILES for 3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide is CC1CCC(N(C)C=O)CC1.CC1CCC(O)C1.
What is the InChIKey of 3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide?
The InChIKey is RJRVOBQZSAVZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C6H12O/c1-8-3-5-9(6-4-8)10(2)7-11;1-5-2-3-6(7)4-5/h7-9H,3-6H2,1-2H3;5-7H,2-4H2,1H3.
What are the key properties of 3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide?
3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide has a molecular weight of 255.40 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopentan-1-ol;N-methyl-N-(4-methylcyclohexyl)formamide is sourced from PubChem (CID 163396379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).