N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine

C16H27NO2 — CID 123882157

IUPACN-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine
SMILESC=CC=C(CC)CNCC(=C)C(OC)=C(CC)OC
InChIInChI=1S/C16H27NO2/c1-7-10-14(8-2)12-17-11-13(4)16(19-6)15(9-3)18-5/h7,10,17H,1,4,8-9,11-12H2,2-3,5-6H3
InChIKeyRJQQGUINLGJWMJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.57
Rot. Bonds10

About N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine

N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine (PubChem CID 123882157) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine.

Molecular Properties

Compound NameN-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine
PubChem CID123882157
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine
SMILESC=CC=C(CC)CNCC(=C)C(OC)=C(CC)OC
InChIInChI=1S/C16H27NO2/c1-7-10-14(8-2)12-17-11-13(4)16(19-6)15(9-3)18-5/h7,10,17H,1,4,8-9,11-12H2,2-3,5-6H3
InChIKeyRJQQGUINLGJWMJ-UHFFFAOYSA-N
XLogP3.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine
CID 90710826
(3Z)-4-methoxy-N-[(Z)-3-methoxybut-2-enyl]hexa-3,5-dien-1-amine
CID 135294525
(3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine
CID 138727843
(2E,3E)-2-ethylidene-4-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142152851
(2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142207266
ethane;1-(5-methoxycyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine
CID 142253242
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane
CID 142277048
N-[(3,5-dimethoxycyclohepta-1,3,5-trien-1-yl)methyl]ethanamine;ethane
CID 142878219
ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine
CID 142896293
(4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine
CID 142960679

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine?
The IUPAC name of N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine (CID 123882157) is N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine.
What is the SMILES notation for N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine?
The canonical SMILES for N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine is C=CC=C(CC)CNCC(=C)C(OC)=C(CC)OC.
What is the InChIKey of N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine?
The InChIKey is RJQQGUINLGJWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-7-10-14(8-2)12-17-11-13(4)16(19-6)15(9-3)18-5/h7,10,17H,1,4,8-9,11-12H2,2-3,5-6H3.
What are the key properties of N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine?
N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine is sourced from PubChem (CID 123882157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).