(2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine

C20H23N3 — CID 142289230

IUPAC(2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine
SMILESC=C/C=C\C=C(/C)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C20H23N3/c1-3-4-5-10-18(2)15-23(16-19-11-6-8-13-21-19)17-20-12-7-9-14-22-20/h3-14H,1,15-17H2,2H3/b5-4-,18-10+
InChIKeyKLFBUKJUPPGXNJ-SSAWSCCNSA-N
MW305.43 g/mol
LogP4.17
Rot. Bonds8

About (2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine

(2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine (PubChem CID 142289230) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is (2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine
PubChem CID142289230
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name(2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine
SMILESC=C/C=C\C=C(/C)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C20H23N3/c1-3-4-5-10-18(2)15-23(16-19-11-6-8-13-21-19)17-20-12-7-9-14-22-20/h3-14H,1,15-17H2,2H3/b5-4-,18-10+
InChIKeyKLFBUKJUPPGXNJ-SSAWSCCNSA-N
XLogP4.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-(pyridin-2-ylmethyl)amino]acetate
CID 142301368
N-(1,2-dihydropyridin-2-ylmethyl)-N-[(E,2E)-2-ethylidenehept-3-enyl]-N'-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 172578940
N'-[(3Z)-3-methylhexa-3,5-dienyl]-N'-(pyridin-2-ylmethyl)butane-1,4-diamine
CID 142954194
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
(NE)-N-[1-[[(2E)-2-hydroxyiminopropyl]-(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 59821034
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
2-[bis(pyridin-2-ylmethyl)amino]ethanedithioic acid
CID 140748007
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine
CID 172578813
ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine
CID 145149493

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine (CID 142289230) is (2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine is C=C/C=C\C=C(/C)CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of (2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine?
The InChIKey is KLFBUKJUPPGXNJ-SSAWSCCNSA-N. The full InChI is InChI=1S/C20H23N3/c1-3-4-5-10-18(2)15-23(16-19-11-6-8-13-21-19)17-20-12-7-9-14-22-20/h3-14H,1,15-17H2,2H3/b5-4-,18-10+.
What are the key properties of (2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine?
(2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine has a molecular weight of 305.43 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 142289230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).