(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

C22H35N3 — CID 130374598

IUPAC(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
SMILESC=C(/C=C(\C=C/C)C(=C)CC)/C(=C(\CC)C(=C)N(C)C)N1CCNC1
InChIInChI=1S/C22H35N3/c1-9-12-20(17(4)10-2)15-18(5)22(25-14-13-23-16-25)21(11-3)19(6)24(7)8/h9,12,15,23H,4-6,10-11,13-14,16H2,1-3,7-8H3/b12-9-,20-15+,22-21+
InChIKeyKMFSOKOFANMANN-UBBLMBICSA-N
MW341.54 g/mol
LogP4.61
Rot. Bonds9

About (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

(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 (PubChem CID 130374598) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID130374598
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC Name(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
SMILESC=C(/C=C(\C=C/C)C(=C)CC)/C(=C(\CC)C(=C)N(C)C)N1CCNC1
InChIInChI=1S/C22H35N3/c1-9-12-20(17(4)10-2)15-18(5)22(25-14-13-23-16-25)21(11-3)19(6)24(7)8/h9,12,15,23H,4-6,10-11,13-14,16H2,1-3,7-8H3/b12-9-,20-15+,22-21+
InChIKeyKMFSOKOFANMANN-UBBLMBICSA-N
XLogP4.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 170073235
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
N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]ethanamine
CID 68019176
2-Methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 68642018
(3E)-3-(3-methyl-1,2,3a,7a-tetrahydrobenzimidazol-2-yl)hexa-3,5-dien-1-amine
CID 89037609
2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine
CID 89408535
9-methyl-5,5a,6,7,8,11a-hexahydro-4aH-benzimidazolo[1,2-a]benzimidazole
CID 89934980
3-(2-Methylprop-2-enyl)-2-(2-methylpropyl)-1,2,3a,4-tetrahydrobenzimidazole
CID 89973204
1-(4-Ethylideneoct-2-en-2-yl)imidazolidine
CID 90694119
1-(3,7-Dimethylnona-3,5,7-trien-4-yl)-2,2-dimethylimidazolidin-4-amine
CID 91132155
1-(4-Ethenyl-2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-methylimidazolidine
CID 122596953
1-(6-Ethenyl-8,8-dimethylnona-2,5-dien-2-yl)-2-ethyl-4-methylimidazolidine
CID 123169502

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(/C=C(\C=C/C)C(=C)CC)/C(=C(\CC)C(=C)N(C)C)N1CCNC1.
What is the InChIKey of (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?
The InChIKey is KMFSOKOFANMANN-UBBLMBICSA-N. The full InChI is InChI=1S/C22H35N3/c1-9-12-20(17(4)10-2)15-18(5)22(25-14-13-23-16-25)21(11-3)19(6)24(7)8/h9,12,15,23H,4-6,10-11,13-14,16H2,1-3,7-8H3/b12-9-,20-15+,22-21+.
What are the key properties of (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?
(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 has a molecular weight of 341.54 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 130374598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).