N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine

C19H29N — CID 123670854

IUPACN-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine
SMILESC=CC=C(C=C(C)C)C(=C)N(C=C(C)C(C)=CC)CC
InChIInChI=1S/C19H29N/c1-9-12-19(13-15(4)5)18(8)20(11-3)14-17(7)16(6)10-2/h9-10,12-14H,1,8,11H2,2-7H3
InChIKeyIGWVBCYZRONGPM-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.77
Rot. Bonds7

About N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine

N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine (PubChem CID 123670854) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine
PubChem CID123670854
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine
SMILESC=CC=C(C=C(C)C)C(=C)N(C=C(C)C(C)=CC)CC
InChIInChI=1S/C19H29N/c1-9-12-19(13-15(4)5)18(8)20(11-3)14-17(7)16(6)10-2/h9-10,12-14H,1,8,11H2,2-7H3
InChIKeyIGWVBCYZRONGPM-UHFFFAOYSA-N
XLogP5.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.77
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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Dimethylaminofulvene
CID 90007951
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
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N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
CID 135266313
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane
CID 144717287
(1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine
CID 146260476

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine?
The IUPAC name of N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine (CID 123670854) is N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine is C=CC=C(C=C(C)C)C(=C)N(C=C(C)C(C)=CC)CC.
What is the InChIKey of N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine?
The InChIKey is IGWVBCYZRONGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-9-12-19(13-15(4)5)18(8)20(11-3)14-17(7)16(6)10-2/h9-10,12-14H,1,8,11H2,2-7H3.
What are the key properties of N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine?
N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine has a molecular weight of 271.45 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylpenta-1,3-dienyl)-N-ethyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 123670854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).