ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine

C19H39N — CID 144997637

IUPACethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine
SMILESCC.CC.CC.CC=C(N=C(C)C)C(/C=C\C)=C/CC
InChIInChI=1S/C13H21N.3C2H6/c1-6-9-12(10-7-2)13(8-3)14-11(4)5;3*1-2/h6,8-10H,7H2,1-5H3;3*1-2H3/b9-6-,12-10+,13-8-;;;
InChIKeyAUKHRPRQULEWRX-RZOFJDAYSA-N
MW281.53 g/mol
LogP7.36
Rot. Bonds4

About ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine

ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine (PubChem CID 144997637) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine.

Molecular Properties

Compound Nameethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine
PubChem CID144997637
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Nameethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine
SMILESCC.CC.CC.CC=C(N=C(C)C)C(/C=C\C)=C/CC
InChIInChI=1S/C13H21N.3C2H6/c1-6-9-12(10-7-2)13(8-3)14-11(4)5;3*1-2/h6,8-10H,7H2,1-5H3;3*1-2H3/b9-6-,12-10+,13-8-;;;
InChIKeyAUKHRPRQULEWRX-RZOFJDAYSA-N
XLogP7.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 57.36
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'}

Analyze ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine with MolForge

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Related Compounds

4-ethylidene-5-methylocta-2,5-diene
CID 123325862
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
CID 144597093
(1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine
CID 143918138
ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
CID 46873133
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine
CID 142915693
6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene
CID 151199646
methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate
CID 163442754
(3Z,5Z,6Z)-4-[(Z)-prop-1-enyl]-5-propylidenenona-1,3,6-triene
CID 142312550
(E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
CID 126661770
(Z)-2-cyano-N-[(3E)-3-prop-1-enylhexa-1,3-dien-2-yl]but-2-enimidoyl chloride
CID 123295745
ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
CID 142050106

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine?
The IUPAC name of ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine (CID 144997637) is ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine.
What is the SMILES notation for ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine?
The canonical SMILES for ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine is CC.CC.CC.CC=C(N=C(C)C)C(/C=C\C)=C/CC.
What is the InChIKey of ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine?
The InChIKey is AUKHRPRQULEWRX-RZOFJDAYSA-N. The full InChI is InChI=1S/C13H21N.3C2H6/c1-6-9-12(10-7-2)13(8-3)14-11(4)5;3*1-2/h6,8-10H,7H2,1-5H3;3*1-2H3/b9-6-,12-10+,13-8-;;;.
What are the key properties of ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine?
ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine has a molecular weight of 281.53 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine is sourced from PubChem (CID 144997637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).