(1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine

C14H21N — CID 155480081

IUPAC(1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine
SMILESC=CN(C)/C=C(C)/C=C\C(=C/C)C(=C)C
InChIInChI=1S/C14H21N/c1-7-14(12(3)4)10-9-13(5)11-15(6)8-2/h7-11H,2-3H2,1,4-6H3/b10-9-,13-11+,14-7+
InChIKeyKUTLGBZXUUMRAH-WGOSVUBASA-N
MW203.33 g/mol
LogP4.04
Rot. Bonds5

About (1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine

(1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine (PubChem CID 155480081) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine
PubChem CID155480081
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine
SMILESC=CN(C)/C=C(C)/C=C\C(=C/C)C(=C)C
InChIInChI=1S/C14H21N/c1-7-14(12(3)4)10-9-13(5)11-15(6)8-2/h7-11H,2-3H2,1,4-6H3/b10-9-,13-11+,14-7+
InChIKeyKUTLGBZXUUMRAH-WGOSVUBASA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.04
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

(1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine
CID 143349848
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 163402512
N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide
CID 143409642
(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine
CID 156522414
N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene
CID 162280666
3-ethylidene-2,6-dimethylocta-1,4-diene
CID 90690181
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
(3E,4Z,7E)-3-ethylidene-7-[(Z)-2-fluoroethenyl]-2-methyl-6-methylidenedeca-1,4,7-triene
CID 126710295
(E)-N-ethenyl-N-methylprop-1-en-1-amine
CID 18732256
(3E)-N,N,2-trimethylpenta-1,3-dien-3-amine
CID 135214583

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine (CID 155480081) is (1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine is C=CN(C)/C=C(C)/C=C\C(=C/C)C(=C)C.
What is the InChIKey of (1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine?
The InChIKey is KUTLGBZXUUMRAH-WGOSVUBASA-N. The full InChI is InChI=1S/C14H21N/c1-7-14(12(3)4)10-9-13(5)11-15(6)8-2/h7-11H,2-3H2,1,4-6H3/b10-9-,13-11+,14-7+.
What are the key properties of (1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine?
(1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine has a molecular weight of 203.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 155480081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).