(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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Related Compounds

ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
(2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane
CID 144845989
(4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal
CID 143072769
(2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine
CID 164862462
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
CID 162361818
(3Z,5Z,7Z)-6-propan-2-yl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 145184393
(3E,4Z)-2-(aminomethyl)-3-ethylidenehepta-4,6-dienoic acid
CID 143110029
2-(dimethylamino)acetic acid;(3Z,5E)-5-(methoxymethyl)hepta-1,3,5-triene
CID 145170354
(4Z,5Z)-4-ethylideneocta-5,7-dien-1-ol
CID 89317251
3-ethylidenehepta-4,6-dienoic acid
CID 90984138

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).