(2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine

C14H23N — CID 138539271

IUPAC(2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)CN(C)C(=C)C(C)C
InChIInChI=1S/C14H23N/c1-7-9-10-14(8-2)11-15(6)13(5)12(3)4/h7-10,12H,1,5,11H2,2-4,6H3/b10-9-,14-8+
InChIKeyAZSDOVQQZZCFNG-SIWKXLNPSA-N
MW205.34 g/mol
LogP3.78
Rot. Bonds6

About (2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine

(2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine (PubChem CID 138539271) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine
PubChem CID138539271
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)CN(C)C(=C)C(C)C
InChIInChI=1S/C14H23N/c1-7-9-10-14(8-2)11-15(6)13(5)12(3)4/h7-10,12H,1,5,11H2,2-4,6H3/b10-9-,14-8+
InChIKeyAZSDOVQQZZCFNG-SIWKXLNPSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine?
The IUPAC name of (2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine (CID 138539271) is (2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine is C=C/C=C\C(=C/C)CN(C)C(=C)C(C)C.
What is the InChIKey of (2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine?
The InChIKey is AZSDOVQQZZCFNG-SIWKXLNPSA-N. The full InChI is InChI=1S/C14H23N/c1-7-9-10-14(8-2)11-15(6)13(5)12(3)4/h7-10,12H,1,5,11H2,2-4,6H3/b10-9-,14-8+.
What are the key properties of (2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine?
(2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-N-methyl-N-(3-methylbut-1-en-2-yl)hexa-3,5-dien-1-amine is sourced from PubChem (CID 138539271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).