(2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine

C19H27N — CID 143578838

IUPAC(2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
SMILESC=C(C)/C(=C\C=C(C)C)CN(CC)Cc1ccccc1
InChIInChI=1S/C19H27N/c1-6-20(14-18-10-8-7-9-11-18)15-19(17(4)5)13-12-16(2)3/h7-13H,4,6,14-15H2,1-3,5H3/b19-13-
InChIKeyYWYRVZTZGBRALS-UYRXBGFRSA-N
MW269.43 g/mol
LogP4.98
Rot. Bonds7

About (2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine

(2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine (PubChem CID 143578838) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is (2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
PubChem CID143578838
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name(2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
SMILESC=C(C)/C(=C\C=C(C)C)CN(CC)Cc1ccccc1
InChIInChI=1S/C19H27N/c1-6-20(14-18-10-8-7-9-11-18)15-19(17(4)5)13-12-16(2)3/h7-13H,4,6,14-15H2,1-3,5H3/b19-13-
InChIKeyYWYRVZTZGBRALS-UYRXBGFRSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.98
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

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N-benzyl-N-[(2-bromophenyl)methyl]ethanamine
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(1Z)-1-[2-[benzyl(ethyl)amino]ethyl-ethylamino]buta-1,3-dien-1-ol
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2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
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CID 22685949

Frequently Asked Questions

What is the IUPAC name of (2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The IUPAC name of (2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine (CID 143578838) is (2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine is C=C(C)/C(=C\C=C(C)C)CN(CC)Cc1ccccc1.
What is the InChIKey of (2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The InChIKey is YWYRVZTZGBRALS-UYRXBGFRSA-N. The full InChI is InChI=1S/C19H27N/c1-6-20(14-18-10-8-7-9-11-18)15-19(17(4)5)13-12-16(2)3/h7-13H,4,6,14-15H2,1-3,5H3/b19-13-.
What are the key properties of (2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
(2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-benzyl-N-ethyl-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine is sourced from PubChem (CID 143578838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).