ethane;N-(3-methylcyclohexyl)formamide

C10H21NO — CID 145231025

IUPACethane;N-(3-methylcyclohexyl)formamide
SMILESCC.CC1CCCC(NC=O)C1
InChIInChI=1S/C8H15NO.C2H6/c1-7-3-2-4-8(5-7)9-6-10;1-2/h6-8H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyOPHLAMVTJAVBFK-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds2

About ethane;N-(3-methylcyclohexyl)formamide

ethane;N-(3-methylcyclohexyl)formamide (PubChem CID 145231025) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;N-(3-methylcyclohexyl)formamide.

Molecular Properties

Compound Nameethane;N-(3-methylcyclohexyl)formamide
PubChem CID145231025
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;N-(3-methylcyclohexyl)formamide
SMILESCC.CC1CCCC(NC=O)C1
InChIInChI=1S/C8H15NO.C2H6/c1-7-3-2-4-8(5-7)9-6-10;1-2/h6-8H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyOPHLAMVTJAVBFK-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethylcyclohexan-1-amine
CID 16771259
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
N,3-dimethylcyclohexan-1-amine;hydrochloride
CID 45286057
N-cyclohexylformamide;ethane
CID 143536975
N-cyclobutylformamide;methanol
CID 142523729
N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine
CID 112743180
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
(3-methylcyclohexyl)carbamic acid
CID 67410451
N-(3-methylcyclohexyl)ethenesulfonamide
CID 123850163
sodium;N-cyclohexylformamide;hydride
CID 173020638
N-(3-methylcyclohexyl)thian-4-amine
CID 43428241

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methylcyclohexyl)formamide?
The IUPAC name of ethane;N-(3-methylcyclohexyl)formamide (CID 145231025) is ethane;N-(3-methylcyclohexyl)formamide.
What is the SMILES notation for ethane;N-(3-methylcyclohexyl)formamide?
The canonical SMILES for ethane;N-(3-methylcyclohexyl)formamide is CC.CC1CCCC(NC=O)C1.
What is the InChIKey of ethane;N-(3-methylcyclohexyl)formamide?
The InChIKey is OPHLAMVTJAVBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-7-3-2-4-8(5-7)9-6-10;1-2/h6-8H,2-5H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;N-(3-methylcyclohexyl)formamide?
ethane;N-(3-methylcyclohexyl)formamide has a molecular weight of 171.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methylcyclohexyl)formamide is sourced from PubChem (CID 145231025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).