1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene

C20H39N3 — CID 145230157

IUPAC1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.C=C(/C=C\C)CC(C)(C)NC(=C)NCCNC
InChIInChI=1S/C14H27N3.C6H12/c1-7-8-12(2)11-14(4,5)17-13(3)16-10-9-15-6;1-4-6(3)5-2/h7-8,15-17H,2-3,9-11H2,1,4-6H3;4H,5H2,1-3H3/b8-7-;6-4+
InChIKeyDOODPCHTWJLWGS-UZKVUQFJSA-N
MW321.55 g/mol
LogP4.52
Rot. Bonds10

About 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene

1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene (PubChem CID 145230157) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene.

Molecular Properties

Compound Name1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene
PubChem CID145230157
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.C=C(/C=C\C)CC(C)(C)NC(=C)NCCNC
InChIInChI=1S/C14H27N3.C6H12/c1-7-8-12(2)11-14(4,5)17-13(3)16-10-9-15-6;1-4-6(3)5-2/h7-8,15-17H,2-3,9-11H2,1,4-6H3;4H,5H2,1-3H3/b8-7-;6-4+
InChIKeyDOODPCHTWJLWGS-UZKVUQFJSA-N
XLogP4.52
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine
CID 129089599
(4Z,5Z)-1-N-[1-[[2-(cyclopropen-1-yl)-2-(dimethylamino)ethyl]amino]ethenyl]-4-ethylidene-2-N,2-N-dimethylocta-5,7-diene-1,2-diamine
CID 135214431
1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine
CID 135269084
ethane;N'-[(5Z,6Z)-5-ethylidene-3-methylocta-1,6-dien-2-yl]-N-methylethane-1,2-diamine
CID 141794526
ethane;1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine;methanamine
CID 144815194
1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine
CID 145462330
(4S,6Z,8Z)-4,8-dimethyl-4-[(3E,5Z)-8-methyl-4-prop-1-en-2-ylnona-1,3,5,8-tetraen-3-yl]-1,2,3,5-tetrahydro-1,3-diazonine
CID 167065049
1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine
CID 143359127
1-N'-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]ethene-1,1-diamine
CID 144815195
1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine
CID 145230158

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene?
The IUPAC name of 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene (CID 145230157) is 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene.
What is the SMILES notation for 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene?
The canonical SMILES for 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene is C/C=C(\C)CC.C=C(/C=C\C)CC(C)(C)NC(=C)NCCNC.
What is the InChIKey of 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene?
The InChIKey is DOODPCHTWJLWGS-UZKVUQFJSA-N. The full InChI is InChI=1S/C14H27N3.C6H12/c1-7-8-12(2)11-14(4,5)17-13(3)16-10-9-15-6;1-4-6(3)5-2/h7-8,15-17H,2-3,9-11H2,1,4-6H3;4H,5H2,1-3H3/b8-7-;6-4+.
What are the key properties of 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene?
1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene has a molecular weight of 321.55 g/mol, XLogP of 4.52, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene is sourced from PubChem (CID 145230157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).