ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine

C14H27N — CID 153342646

IUPACethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine
SMILESC/C=C\C/C(C)=C\N=C(/C)CCC.CC
InChIInChI=1S/C12H21N.C2H6/c1-5-7-9-11(3)10-13-12(4)8-6-2;1-2/h5,7,10H,6,8-9H2,1-4H3;1-2H3/b7-5-,11-10-,13-12+;
InChIKeyUKZUGRNJZXNHNQ-WHNGEFPLSA-N
MW209.38 g/mol
LogP5.14
Rot. Bonds5

About ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine

ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine (PubChem CID 153342646) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine.

Molecular Properties

Compound Nameethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine
PubChem CID153342646
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nameethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine
SMILESC/C=C\C/C(C)=C\N=C(/C)CCC.CC
InChIInChI=1S/C12H21N.C2H6/c1-5-7-9-11(3)10-13-12(4)8-6-2;1-2/h5,7,10H,6,8-9H2,1-4H3;1-2H3/b7-5-,11-10-,13-12+;
InChIKeyUKZUGRNJZXNHNQ-WHNGEFPLSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylhepta-2,5-dien-1-ol
CID 167443292
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine
CID 142099496
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
(Z)-N-[(Z)-ethylideneamino]pentan-2-imine
CID 130369959
methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
CID 172950111
(2Z,5Z)-5-propylocta-2,5-diene
CID 142206656
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine
CID 135210367
5-propan-2-ylidenenon-2-ene
CID 151139066
5-methylnona-1,4,7-triene
CID 59970949
6,7-dimethyldeca-2,6-diene
CID 91199113
(4E)-2-methylhexa-1,4-diene
CID 5367524

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine?
The IUPAC name of ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine (CID 153342646) is ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine.
What is the SMILES notation for ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine?
The canonical SMILES for ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine is C/C=C\C/C(C)=C\N=C(/C)CCC.CC.
What is the InChIKey of ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine?
The InChIKey is UKZUGRNJZXNHNQ-WHNGEFPLSA-N. The full InChI is InChI=1S/C12H21N.C2H6/c1-5-7-9-11(3)10-13-12(4)8-6-2;1-2/h5,7,10H,6,8-9H2,1-4H3;1-2H3/b7-5-,11-10-,13-12+;.
What are the key properties of ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine?
ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine has a molecular weight of 209.38 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine is sourced from PubChem (CID 153342646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).