N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane

C18H33NO — CID 143658127

IUPACN-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
SMILESCC1CC[C@@H](C(C)C)[C@@H]2C[C@H]12.O=CNC1CCCCC1
InChIInChI=1S/C11H20.C7H13NO/c1-7(2)9-5-4-8(3)10-6-11(9)10;9-6-8-7-4-2-1-3-5-7/h7-11H,4-6H2,1-3H3;6-7H,1-5H2,(H,8,9)/t8?,9-,10+,11-;/m0./s1
InChIKeyOMLSLSGIGXIGTJ-YTIXYRQKSA-N
MW279.47 g/mol
LogP4.39
Rot. Bonds3

About N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane

N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane (PubChem CID 143658127) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane.

Molecular Properties

Compound NameN-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
PubChem CID143658127
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
SMILESCC1CC[C@@H](C(C)C)[C@@H]2C[C@H]12.O=CNC1CCCCC1
InChIInChI=1S/C11H20.C7H13NO/c1-7(2)9-5-4-8(3)10-6-11(9)10;9-6-8-7-4-2-1-3-5-7/h7-11H,4-6H2,1-3H3;6-7H,1-5H2,(H,8,9)/t8?,9-,10+,11-;/m0./s1
InChIKeyOMLSLSGIGXIGTJ-YTIXYRQKSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.39
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

(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
CID 143658128
N-cyclohexylformamide;ethane
CID 143536975
sodium;N-cyclohexylformamide;hydride
CID 173020638
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 153428714
N-[(1R,2R)-2-propan-2-ylcyclohexyl]formamide
CID 88958031
(4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 162070754
N-cyclobutylformamide;methanol
CID 142523729
ethane;N-(3-methylcyclohexyl)formamide
CID 145231025
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 59847881
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
formamide;1-methyl-2-propan-2-ylcyclohexane
CID 174972223
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane?
The IUPAC name of N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane (CID 143658127) is N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane.
What is the SMILES notation for N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane?
The canonical SMILES for N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane is CC1CC[C@@H](C(C)C)[C@@H]2C[C@H]12.O=CNC1CCCCC1.
What is the InChIKey of N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane?
The InChIKey is OMLSLSGIGXIGTJ-YTIXYRQKSA-N. The full InChI is InChI=1S/C11H20.C7H13NO/c1-7(2)9-5-4-8(3)10-6-11(9)10;9-6-8-7-4-2-1-3-5-7/h7-11H,4-6H2,1-3H3;6-7H,1-5H2,(H,8,9)/t8?,9-,10+,11-;/m0./s1.
What are the key properties of N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane?
N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane has a molecular weight of 279.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane is sourced from PubChem (CID 143658127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).