ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine

C19H36N4 — CID 145200192

IUPACethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine
SMILESC=C/C(=C\C)NCCN(C)CCN/C(=C/C)C(=C)/C=C\N.CC
InChIInChI=1S/C17H30N4.C2H6/c1-6-16(7-2)19-11-13-21(5)14-12-20-17(8-3)15(4)9-10-18;1-2/h6-10,19-20H,1,4,11-14,18H2,2-3,5H3;1-2H3/b10-9-,16-7+,17-8+;
InChIKeyVXQXXMGNUSSIAP-DEWRJCDWSA-N
MW320.53 g/mol
LogP3.15
Rot. Bonds11

About ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine

ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine (PubChem CID 145200192) has the molecular formula C19H36N4 and a molecular weight of 320.53 g/mol. Its IUPAC name is ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine.

Molecular Properties

Compound Nameethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine
PubChem CID145200192
Molecular FormulaC19H36N4
Molecular Weight320.53 g/mol
Exact Mass320.29
IUPAC Nameethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine
SMILESC=C/C(=C\C)NCCN(C)CCN/C(=C/C)C(=C)/C=C\N.CC
InChIInChI=1S/C17H30N4.C2H6/c1-6-16(7-2)19-11-13-21(5)14-12-20-17(8-3)15(4)9-10-18;1-2/h6-10,19-20H,1,4,11-14,18H2,2-3,5H3;1-2H3/b10-9-,16-7+,17-8+;
InChIKeyVXQXXMGNUSSIAP-DEWRJCDWSA-N
XLogP3.15
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine with MolForge

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Related Compounds

1-N-[(3Z)-3-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)penta-1,3-dien-2-yl]-4,4,4-trifluorobutane-1,2-diamine
CID 134189210
(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine
CID 138528342
butane;N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine
CID 143043422
(1Z,3E)-4-N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-1-N,2-dimethylhexa-1,3-diene-1,4-diamine
CID 154979166
2-N-[(5E)-6-fluoro-2-[(Z)-prop-1-enyl]hepta-2,5-dienyl]-3-N-methyl-3-N-[(Z)-2-(methylideneamino)ethenyl]hepta-1,4,6-triene-2,3-diamine
CID 143346887
(2Z,4Z,6E)-6-ethylidene-3-fluoro-2-methyl-N-[(2E)-4-methylidenehexa-2,5-dien-2-yl]-N'-(3-methylidenepenta-1,4-dien-2-yl)hepta-2,4-diene-1,7-diamine
CID 143347280
1-Methyl-2,3,4,9a-tetrahydro-1,4-benzodiazepin-8-amine
CID 67264034
N,1,5-trimethyl-2H-pyridin-3-amine
CID 70436048
5-methyl-1-(2-methylpropyl)-2H-pyridin-3-amine
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CID 88917398

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine?
The IUPAC name of ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine (CID 145200192) is ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine.
What is the SMILES notation for ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine?
The canonical SMILES for ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine is C=C/C(=C\C)NCCN(C)CCN/C(=C/C)C(=C)/C=C\N.CC.
What is the InChIKey of ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine?
The InChIKey is VXQXXMGNUSSIAP-DEWRJCDWSA-N. The full InChI is InChI=1S/C17H30N4.C2H6/c1-6-16(7-2)19-11-13-21(5)14-12-20-17(8-3)15(4)9-10-18;1-2/h6-10,19-20H,1,4,11-14,18H2,2-3,5H3;1-2H3/b10-9-,16-7+,17-8+;.
What are the key properties of ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine?
ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine has a molecular weight of 320.53 g/mol, XLogP of 3.15, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,4E)-3-methylidene-4-N-[2-[methyl-[2-[[(3E)-penta-1,3-dien-3-yl]amino]ethyl]amino]ethyl]hexa-1,4-diene-1,4-diamine is sourced from PubChem (CID 145200192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).