(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine

C11H17N — CID 134569652

IUPAC(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
SMILESC=C/C=C(\C=C/C)C(=C)N(C)C
InChIInChI=1S/C11H17N/c1-6-8-11(9-7-2)10(3)12(4)5/h6-9H,1,3H2,2,4-5H3/b9-7-,11-8+
InChIKeyWHRSJGKAURADAN-BYSFRFKNSA-N
MW163.26 g/mol
LogP2.75
Rot. Bonds4

About (3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine

(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine (PubChem CID 134569652) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
PubChem CID134569652
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
SMILESC=C/C=C(\C=C/C)C(=C)N(C)C
InChIInChI=1S/C11H17N/c1-6-8-11(9-7-2)10(3)12(4)5/h6-9H,1,3H2,2,4-5H3/b9-7-,11-8+
InChIKeyWHRSJGKAURADAN-BYSFRFKNSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.75
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

(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358
(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 129043675
(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
CID 130371607
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 130219587
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
CID 144531341
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718

Frequently Asked Questions

What is the IUPAC name of (3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine (CID 134569652) is (3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine is C=C/C=C(\C=C/C)C(=C)N(C)C.
What is the InChIKey of (3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine?
The InChIKey is WHRSJGKAURADAN-BYSFRFKNSA-N. The full InChI is InChI=1S/C11H17N/c1-6-8-11(9-7-2)10(3)12(4)5/h6-9H,1,3H2,2,4-5H3/b9-7-,11-8+.
What are the key properties of (3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine?
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine has a molecular weight of 163.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 134569652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).