(3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine

C15H26N2 — CID 176966687

IUPAC(3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine
SMILESC=C(C(=C\N=C(C)C)/C(=C/C)CC)N(C)CC
InChIInChI=1S/C15H26N2/c1-8-14(9-2)15(11-16-12(4)5)13(6)17(7)10-3/h8,11H,6,9-10H2,1-5,7H3/b14-8+,15-11+
InChIKeyJBMIUTAJAPQUFW-FVXNJELISA-N
MW234.39 g/mol
LogP4.17
Rot. Bonds6

About (3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine

(3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine (PubChem CID 176966687) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine
PubChem CID176966687
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine
SMILESC=C(C(=C\N=C(C)C)/C(=C/C)CC)N(C)CC
InChIInChI=1S/C15H26N2/c1-8-14(9-2)15(11-16-12(4)5)13(6)17(7)10-3/h8,11H,6,9-10H2,1-5,7H3/b14-8+,15-11+
InChIKeyJBMIUTAJAPQUFW-FVXNJELISA-N
XLogP4.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.17
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

(Z)-N,2-diethyl-N-methylbut-2-enamide
CID 172631579
(3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine
CID 131995831
ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
(2E,3Z)-2-ethylidene-5-[ethyl(methyl)amino]-4-methylhexa-3,5-dienenitrile
CID 170720884
(6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine
CID 163733373
N'-[1-[ethyl(methyl)amino]ethenyl]-N-methylidenemethanimidamide
CID 143488080
N-ethyl-N-methylbuta-1,3-dien-2-amine
CID 123199652
(2Z,4Z)-N-ethyl-N-methyl-5-(methylideneamino)penta-2,4-dien-2-amine
CID 134185502
1-ethyl-3-(hydroxymethyl)-1,3-dimethyl-2-[(E)-prop-1-enyl]guanidine
CID 118490025
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
(E)-2-ethyl-N,N-dimethylbut-2-enamide
CID 143612571
3-ethylpent-3-en-2-one
CID 54009630

Frequently Asked Questions

What is the IUPAC name of (3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine?
The IUPAC name of (3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine (CID 176966687) is (3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine.
What is the SMILES notation for (3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine?
The canonical SMILES for (3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine is C=C(C(=C\N=C(C)C)/C(=C/C)CC)N(C)CC.
What is the InChIKey of (3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine?
The InChIKey is JBMIUTAJAPQUFW-FVXNJELISA-N. The full InChI is InChI=1S/C15H26N2/c1-8-14(9-2)15(11-16-12(4)5)13(6)17(7)10-3/h8,11H,6,9-10H2,1-5,7H3/b14-8+,15-11+.
What are the key properties of (3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine?
(3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine has a molecular weight of 234.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4E)-N,4-diethyl-N-methyl-3-[(propan-2-ylideneamino)methylidene]hexa-1,4-dien-2-amine is sourced from PubChem (CID 176966687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).