(1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine

C23H42N4 — CID 142149416

IUPAC(1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine
SMILESC/C=C\C(=C/C(=C/NCC)/N=C/C)CN1CCN(C(C)CCCCC)CC1
InChIInChI=1S/C23H42N4/c1-6-10-11-13-21(5)27-16-14-26(15-17-27)20-22(12-7-2)18-23(25-9-4)19-24-8-3/h7,9,12,18-19,21,24H,6,8,10-11,13-17,20H2,1-5H3/b12-7-,22-18+,23-19-,25-9+
InChIKeyLVZUFODDUFHYID-XTPSBMHWSA-N
MW374.62 g/mol
LogP4.62
Rot. Bonds12

About (1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine

(1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine (PubChem CID 142149416) has the molecular formula C23H42N4 and a molecular weight of 374.62 g/mol. Its IUPAC name is (1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine
PubChem CID142149416
Molecular FormulaC23H42N4
Molecular Weight374.62 g/mol
Exact Mass374.34
IUPAC Name(1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine
SMILESC/C=C\C(=C/C(=C/NCC)/N=C/C)CN1CCN(C(C)CCCCC)CC1
InChIInChI=1S/C23H42N4/c1-6-10-11-13-21(5)27-16-14-26(15-17-27)20-22(12-7-2)18-23(25-9-4)19-24-8-3/h7,9,12,18-19,21,24H,6,8,10-11,13-17,20H2,1-5H3/b12-7-,22-18+,23-19-,25-9+
InChIKeyLVZUFODDUFHYID-XTPSBMHWSA-N
XLogP4.62
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.62
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1Z,5Z,7Z)-7-N-(2,2-difluoroethyl)-6-N,6-N-dimethyl-2-[(3Z)-2-methylhepta-1,3-dien-3-yl]-9-methylimino-5-prop-2-enylidenenona-1,7-diene-1,6,7-triamine
CID 166876816
3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine
CID 137247967
2-[2-[(3Z)-5-imino-2-methylpenta-1,3-dien-3-yl]iminopropyl]piperidin-3-amine
CID 137471018
1-[(1Z,2E)-5-(3-aminocyclopropen-1-yl)-1-hydrazinylidene-4-methylidenehexa-2,5-dien-3-yl]-N-methylpiperidin-3-amine
CID 137513298
N-[(3Z,5E)-6-(ethylideneamino)-5-methylhexa-1,3,5-trien-3-yl]-1-(methylaminomethyl)-N-prop-1-enylcyclohexan-1-amine
CID 139317394
(3Z,5E)-5-N-(7-aminoheptan-2-yl)-1-N-(1-ethylpiperidin-4-yl)-5-N-methyl-2-methylidenehepta-3,5-diene-1,5-diamine
CID 139514314
(2Z)-2-(aminomethylidene)-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-3-amine;ethane
CID 142042010
(5Z,7Z)-9-[[5-(4-methylpiperazin-1-yl)-2,3,4,7-tetrahydro-1H-cyclohepta[c]pyridin-3-yl]methyl]-4,9-diazabicyclo[6.4.2]tetradeca-3,5,7-triene
CID 142416788
1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine
CID 142954218
ethane;(3Z)-5-[(ethylideneamino)methyl]-N-hexylhexa-1,3,5-trien-2-amine;propane;N-propylbutan-1-amine
CID 143415695
(2Z,4Z,6E,7Z)-4-(2,3-dihydropyrrol-1-yl)-6-ethylidene-9-fluoro-5-(methylideneamino)-1-methyliminoundeca-2,4,7,10-tetraen-3-amine;1-(4-methylpent-1-en-2-yl)piperidin-3-amine
CID 143567328
3-butylcyclohepta-1,3,5-triene;ethane;4-N-ethyl-4-N-[(3Z)-3-(ethylideneamino)penta-1,3-dien-2-yl]cyclohexane-1,4-diamine
CID 143682774

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine (CID 142149416) is (1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine is C/C=C\C(=C/C(=C/NCC)/N=C/C)CN1CCN(C(C)CCCCC)CC1.
What is the InChIKey of (1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine?
The InChIKey is LVZUFODDUFHYID-XTPSBMHWSA-N. The full InChI is InChI=1S/C23H42N4/c1-6-10-11-13-21(5)27-16-14-26(15-17-27)20-22(12-7-2)18-23(25-9-4)19-24-8-3/h7,9,12,18-19,21,24H,6,8,10-11,13-17,20H2,1-5H3/b12-7-,22-18+,23-19-,25-9+.
What are the key properties of (1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine?
(1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine has a molecular weight of 374.62 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine is sourced from PubChem (CID 142149416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).