N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide

C16H22N2O — CID 5069125

IUPACN-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide
SMILESCCCCC(C)=NNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C16H22N2O/c1-3-4-8-12(2)17-18-16(19)15-11-14(15)13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11H2,1-2H3,(H,18,19)
InChIKeyCBAWIYMRPJUWAK-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.47
Rot. Bonds6

About N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide

N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide (PubChem CID 5069125) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide
PubChem CID5069125
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide
SMILESCCCCC(C)=NNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C16H22N2O/c1-3-4-8-12(2)17-18-16(19)15-11-14(15)13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11H2,1-2H3,(H,18,19)
InChIKeyCBAWIYMRPJUWAK-UHFFFAOYSA-N
XLogP3.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide
CID 7209886
trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide
CID 7224859
cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 840675
ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate
CID 40524833
cis-(1S,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 129360074
trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 904155
2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
trans-(1S,2S)-N-[(E)-1-cyclopropylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7203116
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863
trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135920731
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421

Frequently Asked Questions

What is the IUPAC name of N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide (CID 5069125) is N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide is CCCCC(C)=NNC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is CBAWIYMRPJUWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-4-8-12(2)17-18-16(19)15-11-14(15)13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11H2,1-2H3,(H,18,19).
What are the key properties of N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide?
N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 5069125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).