ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine

C12H25N — CID 142064369

IUPACethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
SMILESC/C=C(C)\C=C/N=C/C.CC.CC
InChIInChI=1S/C8H13N.2C2H6/c1-4-8(3)6-7-9-5-2;2*1-2/h4-7H,1-3H3;2*1-2H3/b7-6-,8-4-,9-5+;;
InChIKeyYINSYUKBMGSLKE-OYRIQZQNSA-N
MW183.34 g/mol
LogP4.61
Rot. Bonds2

About ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine

ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine (PubChem CID 142064369) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
PubChem CID142064369
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nameethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
SMILESC/C=C(C)\C=C/N=C/C.CC.CC
InChIInChI=1S/C8H13N.2C2H6/c1-4-8(3)6-7-9-5-2;2*1-2/h4-7H,1-3H3;2*1-2H3/b7-6-,8-4-,9-5+;;
InChIKeyYINSYUKBMGSLKE-OYRIQZQNSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035
N-[(1Z)-3-methylpenta-1,3-dienyl]propan-1-imine
CID 90869246
(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol
CID 143328048
N-(3-chlorobuta-1,3-dienyl)ethanimine
CID 123742417
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
(Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine
CID 156793413
4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
CID 123366460
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl] propanoate
CID 167131411
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
ethane;N-[(Z)-2-(methylideneamino)ethenyl]ethanimine
CID 142047011
(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine
CID 143487310

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine?
The IUPAC name of ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine (CID 142064369) is ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine.
What is the SMILES notation for ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine?
The canonical SMILES for ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine is C/C=C(C)\C=C/N=C/C.CC.CC.
What is the InChIKey of ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine?
The InChIKey is YINSYUKBMGSLKE-OYRIQZQNSA-N. The full InChI is InChI=1S/C8H13N.2C2H6/c1-4-8(3)6-7-9-5-2;2*1-2/h4-7H,1-3H3;2*1-2H3/b7-6-,8-4-,9-5+;;.
What are the key properties of ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine?
ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine has a molecular weight of 183.34 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine is sourced from PubChem (CID 142064369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).