N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine

C10H18N2 — CID 58991575

IUPACN-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine
SMILESC/C=N/C1CCCC[C@@H]1/N=C/C
InChIInChI=1S/C10H18N2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h3-4,9-10H,5-8H2,1-2H3/b11-3+,12-4+/t9-,10?/m0/s1
InChIKeyNCPYJWKRHPSHGI-CDCRTMEASA-N
MW166.27 g/mol
LogP2.48
Rot. Bonds2

About N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine

N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine (PubChem CID 58991575) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine.

Molecular Properties

Compound NameN-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine
PubChem CID58991575
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine
SMILESC/C=N/C1CCCC[C@@H]1/N=C/C
InChIInChI=1S/C10H18N2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h3-4,9-10H,5-8H2,1-2H3/b11-3+,12-4+/t9-,10?/m0/s1
InChIKeyNCPYJWKRHPSHGI-CDCRTMEASA-N
XLogP2.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanediimine, N,N'-dicyclohexyl-
CID 533594
Cyclohexanamine, N-butylidene-
CID 573448
Cyclohexanamine, N-propylidene-
CID 3489363
N-cyclohexylethanimine
CID 10964544
N-cyclohexylhexan-1-imine
CID 12328533
(1E)-N-Cyclohexylpentan-1-imine
CID 13287286
4a,5,6,7,8,8a-Hexahydroquinoxaline
CID 54287882
N-[(1R,2R)-2-(2,2-dimethylpropylideneamino)cyclohexyl]-2,2-dimethylpropan-1-imine
CID 57797059
N'-cyclohexyl-N-ethylethane-1,2-diimine
CID 58291568
N-hexan-2-ylethanimine
CID 58862526
N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine
CID 59931604
N-[2-(undecylideneamino)cyclohexyl]undecan-1-imine
CID 67215736

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine?
The IUPAC name of N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine (CID 58991575) is N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine.
What is the SMILES notation for N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine?
The canonical SMILES for N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine is C/C=N/C1CCCC[C@@H]1/N=C/C.
What is the InChIKey of N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine?
The InChIKey is NCPYJWKRHPSHGI-CDCRTMEASA-N. The full InChI is InChI=1S/C10H18N2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h3-4,9-10H,5-8H2,1-2H3/b11-3+,12-4+/t9-,10?/m0/s1.
What are the key properties of N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine?
N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine has a molecular weight of 166.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(ethylideneamino)cyclohexyl]ethanimine is sourced from PubChem (CID 58991575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).