(3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine

C23H42N4 — CID 138706199

IUPAC(3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine
SMILESC=C(/C=C\C(=C)NCC)CNCN1CCN(C(=C)C(C)(C)C(C)CCC)C1
InChIInChI=1S/C23H42N4/c1-9-11-20(4)23(7,8)22(6)27-15-14-26(18-27)17-24-16-19(3)12-13-21(5)25-10-2/h12-13,20,24-25H,3,5-6,9-11,14-18H2,1-2,4,7-8H3/b13-12-
InChIKeyQGMMFOUCQAVHLJ-SEYXRHQNSA-N
MW374.62 g/mol
LogP4.32
Rot. Bonds13

About (3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine

(3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine (PubChem CID 138706199) has the molecular formula C23H42N4 and a molecular weight of 374.62 g/mol. Its IUPAC name is (3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine.

Molecular Properties

Compound Name(3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine
PubChem CID138706199
Molecular FormulaC23H42N4
Molecular Weight374.62 g/mol
Exact Mass374.34
IUPAC Name(3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine
SMILESC=C(/C=C\C(=C)NCC)CNCN1CCN(C(=C)C(C)(C)C(C)CCC)C1
InChIInChI=1S/C23H42N4/c1-9-11-20(4)23(7,8)22(6)27-15-14-26(18-27)17-24-16-19(3)12-13-21(5)25-10-2/h12-13,20,24-25H,3,5-6,9-11,14-18H2,1-2,4,7-8H3/b13-12-
InChIKeyQGMMFOUCQAVHLJ-SEYXRHQNSA-N
XLogP4.32
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.62
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine with MolForge

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Related Compounds

(E)-1-N,3-N-dimethyl-2-N-[2-[1-methyl-2-[(4Z,6E)-11,11,11-trifluoro-3-methyl-8-propan-2-ylundeca-4,6-dien-6-yl]-2,3-dihydropyrrol-5-yl]propyl]-3-(3,3,4-trimethyl-2-methylidenepyrrolidin-1-yl)prop-1-ene-1,2,3-triamine
CID 146292245
1-[(2Z,4E)-1-[[(1R)-1-(3-amino-2-methylcyclohexa-2,4-dien-1-yl)ethyl]amino]-5-fluorohexa-2,4-dien-3-yl]-N-methylimidazolidin-2-amine
CID 172239173
1-N'-[2-amino-1-(1-prop-2-enylpyrrolidin-3-yl)ethyl]-1-N-[(4R)-4-methylcyclohexen-1-yl]propane-1,1-diamine
CID 118465702
1-(6-Ethenyl-8,8-dimethylnona-2,5-dien-2-yl)-2-ethyl-4-methylimidazolidine
CID 123169502
(3E,6E,8Z)-7-but-1-en-2-yl-3-ethyl-4-imidazolidin-1-yl-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-2-amine
CID 130374598
N-[1-(3,4-diethylpyrrolidin-1-yl)ethenyl]-6-ethenyl-3-methylcyclohexa-1,5-dien-1-amine
CID 138507681
(3Z)-2-N-[[4-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-1-yl]methyl]-3-N-[(2Z,4Z)-hexa-2,4-dienyl]penta-1,3-diene-2,3,4-triamine;ethane
CID 142855679
but-1-ene;4-N-[1-[1-[4,4-dimethyl-3-(prop-1-en-2-ylamino)pent-1-en-2-yl]pyrrolidin-2-yl]ethenyl]-3-methylidene-2-N-prop-2-enyloct-1-ene-2,4-diamine;ethane;ethene;hexane;(3Z)-penta-1,3-diene;prop-1-ene;2,2,3-trimethylhexane
CID 143353222
(4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine
CID 143852059
(4E,5E)-2-(2,2-dimethylpropyl)-4,5-di(ethylidene)-1-methyl-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]imidazolidine
CID 144572772
(E)-2-N-[(3E,7E,8Z)-3,10-dimethyl-7-(2-methylpropylidene)-6-prop-1-enylundeca-1,3,8-trien-2-yl]-1-N,3-N-dimethyl-3-(3,3,4-trimethyl-2-methylidenepyrrolidin-1-yl)prop-1-ene-1,2,3-triamine
CID 146292299
(2Z,6Z,8E)-N'-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]-(methylamino)methyl]-10-hex-5-en-2-yl-N,4,8-trimethyl-N-[1-[[(Z)-2-methyl-3-methylphosphanylpent-3-enyl]-propylamino]propan-2-yl]undeca-2,6,8-triene-1,11-diamine
CID 155070652

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine?
The IUPAC name of (3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine (CID 138706199) is (3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine.
What is the SMILES notation for (3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine?
The canonical SMILES for (3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine is C=C(/C=C\C(=C)NCC)CNCN1CCN(C(=C)C(C)(C)C(C)CCC)C1.
What is the InChIKey of (3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine?
The InChIKey is QGMMFOUCQAVHLJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C23H42N4/c1-9-11-20(4)23(7,8)22(6)27-15-14-26(18-27)17-24-16-19(3)12-13-21(5)25-10-2/h12-13,20,24-25H,3,5-6,9-11,14-18H2,1-2,4,7-8H3/b13-12-.
What are the key properties of (3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine?
(3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine has a molecular weight of 374.62 g/mol, XLogP of 4.32, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-N-ethyl-2-methylidene-1-N-[[3-(3,3,4-trimethylhept-1-en-2-yl)imidazolidin-1-yl]methyl]hexa-3,5-diene-1,5-diamine is sourced from PubChem (CID 138706199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).