1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene

C21H37N3 — CID 142013442

IUPAC1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene
SMILESC/C=c1/c(NC(C)CCCN(CC)CC)ccn/c1=C/CC.C=C
InChIInChI=1S/C19H33N3.C2H4/c1-6-11-18-17(7-2)19(13-14-20-18)21-16(5)12-10-15-22(8-3)9-4;1-2/h7,11,13-14,16,21H,6,8-10,12,15H2,1-5H3;1-2H2/b17-7+,18-11+;
InChIKeyGARJIXPVRFWYIH-CHXWSSTISA-N
MW331.55 g/mol
LogP3.80
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene

1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene (PubChem CID 142013442) has the molecular formula C21H37N3 and a molecular weight of 331.55 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene
PubChem CID142013442
Molecular FormulaC21H37N3
Molecular Weight331.55 g/mol
Exact Mass331.30
IUPAC Name1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene
SMILESC/C=c1/c(NC(C)CCCN(CC)CC)ccn/c1=C/CC.C=C
InChIInChI=1S/C19H33N3.C2H4/c1-6-11-18-17(7-2)19(13-14-20-18)21-16(5)12-10-15-22(8-3)9-4;1-2/h7,11,13-14,16,21H,6,8-10,12,15H2,1-5H3;1-2H2/b17-7+,18-11+;
InChIKeyGARJIXPVRFWYIH-CHXWSSTISA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 44581277
(3E)-5,5-difluoro-4-methylhepta-1,3-diene;(2E)-N-methyl-4,5-dimethylidene-1-methyliminoocta-2,7-dien-3-amine;N-propan-2-ylcyclohexanamine
CID 144055247
(4Z,7E)-4-ethyl-5-(ethylideneamino)-2-N-[(4-fluoro-3-methylcyclohepta-1,3,5-trien-1-yl)methyl]-3-methylidenenona-1,4,7-triene-2,7-diamine
CID 143343651
2,3-di(ethylidene)-N-(3-methylbutan-2-yl)pyridin-4-amine
CID 91148771
(2E,5E)-N-[(3Z)-4-[[(Z)-but-2-enylidene]amino]-3-ethenylpenta-1,3-dien-2-yl]-6-methyl-4-methylidene-5-prop-1-en-2-ylocta-2,5-dien-3-amine
CID 134594270
(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine
CID 138601574
(4Z,7E)-4-ethyl-5-(ethylideneamino)-2-N-[(4-fluoro-3-methylcyclohepta-1,3,5-trien-1-yl)methyl]-3-methylidenenona-1,4,7-triene-2,7-diamine;(3E,5E)-2,3,6-trimethylocta-1,3,5-triene
CID 143343650
ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine
CID 143345098
ethane;(3Z)-5-[(ethylideneamino)methyl]-N-hexylhexa-1,3,5-trien-2-amine;propane;N-propylbutan-1-amine
CID 143415695
(2E,4Z)-4-ethenyl-2-ethyl-N-[(E)-1-methyliminobut-2-en-2-yl]hexa-2,4-dien-1-amine;prop-1-ene
CID 153633443
(2E,3Z)-N-propan-2-yl-2,3-bis(prop-2-enylidene)pyridin-4-amine
CID 155109542
N-[(1Z)-buta-1,3-dienyl]methanimine;(3Z)-hexa-1,3,5-triene;(4Z)-3-methylidene-4-prop-2-enylidenepiperidine;(2E)-3-methylidene-2-prop-2-enylidenepyridine
CID 159489359

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene?
The IUPAC name of 1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene (CID 142013442) is 1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene is C/C=c1/c(NC(C)CCCN(CC)CC)ccn/c1=C/CC.C=C.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene?
The InChIKey is GARJIXPVRFWYIH-CHXWSSTISA-N. The full InChI is InChI=1S/C19H33N3.C2H4/c1-6-11-18-17(7-2)19(13-14-20-18)21-16(5)12-10-15-22(8-3)9-4;1-2/h7,11,13-14,16,21H,6,8-10,12,15H2,1-5H3;1-2H2/b17-7+,18-11+;.
What are the key properties of 1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene?
1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene has a molecular weight of 331.55 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[(2E,3Z)-3-ethylidene-2-propylidene-4-pyridinyl]pentane-1,4-diamine;ethene is sourced from PubChem (CID 142013442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).