(2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine

C13H21N — CID 134269156

IUPAC(2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine
SMILESC=C/C=C\C(C)N(C)C(/C=C\C)=C/C
InChIInChI=1S/C13H21N/c1-6-9-11-12(4)14(5)13(8-3)10-7-2/h6-12H,1H2,2-5H3/b10-7-,11-9-,13-8+
InChIKeyKSNPWPQMNMMSHD-HVYGUOEKSA-N
MW191.32 g/mol
LogP3.53
Rot. Bonds5

About (2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine

(2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine (PubChem CID 134269156) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine
PubChem CID134269156
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine
SMILESC=C/C=C\C(C)N(C)C(/C=C\C)=C/C
InChIInChI=1S/C13H21N/c1-6-9-11-12(4)14(5)13(8-3)10-7-2/h6-12H,1H2,2-5H3/b10-7-,11-9-,13-8+
InChIKeyKSNPWPQMNMMSHD-HVYGUOEKSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine with MolForge

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Related Compounds

1,2-Dihydro-1,2-dimethylpyridine
CID 407922
N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 17775259
1-Methyl-2-vinylpyridine
CID 19781255
1-Methyl-6-methylidene-2,3-dihydropyridine
CID 58329250
N-methyl-2,6-lutidine
CID 68311864
(3E,5Z)-N-but-3-enyl-6-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 124175129
N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 126629579
(1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine
CID 129055567
1,6-dimethyl-2-(trifluoromethyl)-2H-pyridine
CID 135234763
(3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine
CID 146595703
1-(Cyclopenta-2,4-dien-1-ylidene)-N,N-diethylethan-1-amine
CID 45088785
N-2,6,8-nonatrienyldiethylamine
CID 129810688

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine (CID 134269156) is (2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine is C=C/C=C\C(C)N(C)C(/C=C\C)=C/C.
What is the InChIKey of (2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine?
The InChIKey is KSNPWPQMNMMSHD-HVYGUOEKSA-N. The full InChI is InChI=1S/C13H21N/c1-6-9-11-12(4)14(5)13(8-3)10-7-2/h6-12H,1H2,2-5H3/b10-7-,11-9-,13-8+.
What are the key properties of (2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine?
(2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine has a molecular weight of 191.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(3Z)-hexa-3,5-dien-2-yl]-N-methylhexa-2,4-dien-3-amine is sourced from PubChem (CID 134269156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).