(3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene

C30H58N2 — CID 164855596

IUPAC(3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene
SMILESC=C(C)/C(C)=C(N)\C(C)=N\C.C=C(C)CCCC.C=C/C(=C\C=C(C)C)CC.CC.CC
InChIInChI=1S/C10H16.C9H16N2.C7H14.2C2H6/c1-5-10(6-2)8-7-9(3)4;1-6(2)7(3)9(10)8(4)11-5;1-4-5-6-7(2)3;2*1-2/h5,7-8H,1,6H2,2-4H3;1,10H2,2-5H3;2,4-6H2,1,3H3;2*1-2H3/b10-8+;9-7+,11-8+;;;
InChIKeyGHHZLFZIYLTQQE-GOIDJKPTSA-N
MW446.81 g/mol
LogP10.17
Rot. Bonds8

About (3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene

(3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene (PubChem CID 164855596) has the molecular formula C30H58N2 and a molecular weight of 446.81 g/mol. Its IUPAC name is (3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene.

Molecular Properties

Compound Name(3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene
PubChem CID164855596
Molecular FormulaC30H58N2
Molecular Weight446.81 g/mol
Exact Mass446.46
IUPAC Name(3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene
SMILESC=C(C)/C(C)=C(N)\C(C)=N\C.C=C(C)CCCC.C=C/C(=C\C=C(C)C)CC.CC.CC
InChIInChI=1S/C10H16.C9H16N2.C7H14.2C2H6/c1-5-10(6-2)8-7-9(3)4;1-6(2)7(3)9(10)8(4)11-5;1-4-5-6-7(2)3;2*1-2/h5,7-8H,1,6H2,2-4H3;1,10H2,2-5H3;2,4-6H2,1,3H3;2*1-2H3/b10-8+;9-7+,11-8+;;;
InChIKeyGHHZLFZIYLTQQE-GOIDJKPTSA-N
XLogP10.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.81
LogP ≤ 510.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 89231732
(Z,4Z)-4-[4-[(Z)-3-iminobut-1-enyl]-5-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene]-3-methylbut-2-en-2-amine
CID 89961061
(3Z)-5-[[(2E,4E)-5-[[(2E)-5-methylnona-2,4-dien-2-yl]diazenyl]hexa-2,4-dien-2-yl]diazenyl]-N-propylhexa-3,5-dien-2-imine
CID 123467502
(4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine
CID 123742269
7-Tert-butyl-6-methyl-2-propylazepin-3-imine
CID 123806246
(2E,4Z)-5-[(4E)-4-(2-ethenyliminopropylidene)cyclohexa-1,5-dien-1-yl]hepta-2,4-diene-3,4-diamine
CID 129170511
N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine
CID 130222514
(3E,5E,6E)-5-[(Z)-but-2-enylidene]-4-ethyl-N,7-dimethyldeca-3,6-dien-2-imine
CID 130285259
(3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine
CID 130374408
(6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine
CID 131992884
(Z)-3-[(Z)-but-2-en-2-yl]-4-ethenylimino-6-iminohept-2-en-2-amine
CID 132126161
N-[(2Z,5E)-5-ethenyl-7-methyl-4-methylidene-3-propylocta-2,5,7-trien-2-yl]propan-2-imine
CID 132150733

Frequently Asked Questions

What is the IUPAC name of (3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene?
The IUPAC name of (3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene (CID 164855596) is (3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene.
What is the SMILES notation for (3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene?
The canonical SMILES for (3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene is C=C(C)/C(C)=C(N)\C(C)=N\C.C=C(C)CCCC.C=C/C(=C\C=C(C)C)CC.CC.CC.
What is the InChIKey of (3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene?
The InChIKey is GHHZLFZIYLTQQE-GOIDJKPTSA-N. The full InChI is InChI=1S/C10H16.C9H16N2.C7H14.2C2H6/c1-5-10(6-2)8-7-9(3)4;1-6(2)7(3)9(10)8(4)11-5;1-4-5-6-7(2)3;2*1-2/h5,7-8H,1,6H2,2-4H3;1,10H2,2-5H3;2,4-6H2,1,3H3;2*1-2H3/b10-8+;9-7+,11-8+;;;.
What are the key properties of (3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene?
(3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene has a molecular weight of 446.81 g/mol, XLogP of 10.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,5-dimethyl-2-methyliminohexa-3,5-dien-3-amine;ethane;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;2-methylhex-1-ene is sourced from PubChem (CID 164855596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).