(2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine

C12H21NO2 — CID 143978564

IUPAC(2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CNC(C)C(OC)OC
InChIInChI=1S/C12H21NO2/c1-6-8-11(7-2)9-13-10(3)12(14-4)15-5/h6-8,10,12-13H,1-2,9H2,3-5H3/b11-8+
InChIKeyXQKUXPDGLUVCKD-DHZHZOJOSA-N
MW211.30 g/mol
LogP1.88
Rot. Bonds8

About (2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine

(2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine (PubChem CID 143978564) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine
PubChem CID143978564
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CNC(C)C(OC)OC
InChIInChI=1S/C12H21NO2/c1-6-8-11(7-2)9-13-10(3)12(14-4)15-5/h6-8,10,12-13H,1-2,9H2,3-5H3/b11-8+
InChIKeyXQKUXPDGLUVCKD-DHZHZOJOSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine
CID 143927593
(2E)-2-ethenyl-5-methyl-N-(2,2,2-trifluoro-1-methoxyethyl)hexa-2,4-dien-1-amine
CID 162564197
(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine
CID 156896524
N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide
CID 143081819
1,1-dimethoxy-N-(methoxymethyl)propan-2-amine
CID 91575191
(3Z)-4-ethenyl-6-methylocta-1,3,7-triene
CID 145342446
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine
CID 134400841
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
(3Z)-4-ethenyl-7-iodoocta-1,3-diene
CID 142018025
(3Z)-3-ethylidene-5-methoxyhex-1-ene
CID 145145637
(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
CID 144567839

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine (CID 143978564) is (2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine is C=C/C=C(\C=C)CNC(C)C(OC)OC.
What is the InChIKey of (2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine?
The InChIKey is XQKUXPDGLUVCKD-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H21NO2/c1-6-8-11(7-2)9-13-10(3)12(14-4)15-5/h6-8,10,12-13H,1-2,9H2,3-5H3/b11-8+.
What are the key properties of (2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine?
(2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine has a molecular weight of 211.30 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine is sourced from PubChem (CID 143978564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).