ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine

C11H23N — CID 142062948

IUPACethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine
SMILESC/C=C(\C=N\C)C(C)CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-5-8(3)9(6-2)7-10-4;1-2/h6-8H,5H2,1-4H3;1-2H3/b9-6+,10-7+;
InChIKeyFSFXXQOJFWLHLO-BHSKDUGMSA-N
MW169.31 g/mol
LogP3.71
Rot. Bonds3

About ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine

ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine (PubChem CID 142062948) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine.

Molecular Properties

Compound Nameethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine
PubChem CID142062948
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine
SMILESC/C=C(\C=N\C)C(C)CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-5-8(3)9(6-2)7-10-4;1-2/h6-8H,5H2,1-4H3;1-2H3/b9-6+,10-7+;
InChIKeyFSFXXQOJFWLHLO-BHSKDUGMSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
5-[(5-Fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine
CID 143931828
4-butan-2-yl-3-[(Z)-3-fluoro-2-methylbut-1-enyl]-2H-pyrrole
CID 146499188
(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine
CID 166919456
2-Isopropyl-2-ethyl-4-methylpyrrole
CID 129786814
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine
CID 101404446
3-Ethyl-5-(3-fluorobutyl)-2,3-dihydropyridine
CID 144096701
5,10-Undecadien-3-amine, 2-methyl-N-(2-methyl-2-propenylidene)-
CID 5371390
2-Ethyl-3,5-dimethyl-2,3-dihydropyridine
CID 12478339

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine?
The IUPAC name of ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine (CID 142062948) is ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine.
What is the SMILES notation for ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine?
The canonical SMILES for ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine is C/C=C(\C=N\C)C(C)CC.CC.
What is the InChIKey of ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine?
The InChIKey is FSFXXQOJFWLHLO-BHSKDUGMSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-5-8(3)9(6-2)7-10-4;1-2/h6-8H,5H2,1-4H3;1-2H3/b9-6+,10-7+;.
What are the key properties of ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine?
ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine has a molecular weight of 169.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-2-ethylidene-N,3-dimethylpentan-1-imine is sourced from PubChem (CID 142062948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).