N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine

C20H29N — CID 123726238

IUPACN-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine
SMILESC=CC=C(C)N(C=CC1=CC=CCC1)C(=C)CC(C)CC
InChIInChI=1S/C20H29N/c1-6-11-18(4)21(19(5)16-17(3)7-2)15-14-20-12-9-8-10-13-20/h6,8-9,11-12,14-15,17H,1,5,7,10,13,16H2,2-4H3
InChIKeyTXUHPGWNNZBWFS-UHFFFAOYSA-N
MW283.46 g/mol
LogP6.12
Rot. Bonds8

About N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine

N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine (PubChem CID 123726238) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine
PubChem CID123726238
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC NameN-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine
SMILESC=CC=C(C)N(C=CC1=CC=CCC1)C(=C)CC(C)CC
InChIInChI=1S/C20H29N/c1-6-11-18(4)21(19(5)16-17(3)7-2)15-14-20-12-9-8-10-13-20/h6,8-9,11-12,14-15,17H,1,5,7,10,13,16H2,2-4H3
InChIKeyTXUHPGWNNZBWFS-UHFFFAOYSA-N
XLogP6.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 56.12
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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4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
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13,13a-dihydro-4aH-isoquinolino[1,2-a]isoquinoline
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CID 129819649
1-Azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraene
CID 19431233
1-methyl-4-(1-methylpiperidin-4-yl)-2H-pyridine
CID 20384780
1-ethyl-4-(1-ethylpiperidin-4-yl)-2H-pyridine
CID 21321902
N-methyl tetrahydroindole
CID 53896476
6-butyl-1-ethenyl-2H-pyridine
CID 54276006

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine?
The IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine (CID 123726238) is N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine.
What is the SMILES notation for N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine?
The canonical SMILES for N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine is C=CC=C(C)N(C=CC1=CC=CCC1)C(=C)CC(C)CC.
What is the InChIKey of N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine?
The InChIKey is TXUHPGWNNZBWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-6-11-18(4)21(19(5)16-17(3)7-2)15-14-20-12-9-8-10-13-20/h6,8-9,11-12,14-15,17H,1,5,7,10,13,16H2,2-4H3.
What are the key properties of N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine?
N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine has a molecular weight of 283.46 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,3-dien-1-ylethenyl)-4-methyl-N-penta-2,4-dien-2-ylhex-1-en-2-amine is sourced from PubChem (CID 123726238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).