(2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine

C15H22N2 — CID 143030224

IUPAC(2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine
SMILESC=C/C=C(/CN(C)C)C(=C)C(=C)/C=N/C(=C)C
InChIInChI=1S/C15H22N2/c1-8-9-15(11-17(6)7)14(5)13(4)10-16-12(2)3/h8-10H,1-2,4-5,11H2,3,6-7H3/b15-9-,16-10+
InChIKeyVBUJHRASSNGJQL-CKOAPEAFSA-N
MW230.35 g/mol
LogP3.38
Rot. Bonds7

About (2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine

(2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine (PubChem CID 143030224) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine
PubChem CID143030224
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine
SMILESC=C/C=C(/CN(C)C)C(=C)C(=C)/C=N/C(=C)C
InChIInChI=1S/C15H22N2/c1-8-9-15(11-17(6)7)14(5)13(4)10-16-12(2)3/h8-10H,1-2,4-5,11H2,3,6-7H3/b15-9-,16-10+
InChIKeyVBUJHRASSNGJQL-CKOAPEAFSA-N
XLogP3.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 70867560
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-3,4-dihydropyridine
CID 89200020
[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane
CID 91202514
1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine
CID 91342502
But-2-en-2-yl-(cyclohexa-1,5-dien-1-ylmethylidene)-methylazanium
CID 91801978
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-3,4-dihydropyridine
CID 117906908
[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium
CID 118120033
N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine
CID 123320059
Dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium
CID 123427394
(4-Ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium
CID 123849884
2-Methyl-7-propan-2-yl-1,3,4,5-tetrahydropyrido[3,4-c]azepine
CID 124009778
3,4-Dimethylhepta-1,3,5-trien-2-yl-methyl-prop-2-enylideneazanium
CID 124013030

Frequently Asked Questions

What is the IUPAC name of (2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine (CID 143030224) is (2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine is C=C/C=C(/CN(C)C)C(=C)C(=C)/C=N/C(=C)C.
What is the InChIKey of (2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine?
The InChIKey is VBUJHRASSNGJQL-CKOAPEAFSA-N. The full InChI is InChI=1S/C15H22N2/c1-8-9-15(11-17(6)7)14(5)13(4)10-16-12(2)3/h8-10H,1-2,4-5,11H2,3,6-7H3/b15-9-,16-10+.
What are the key properties of (2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine?
(2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine is sourced from PubChem (CID 143030224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).