4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine

C20H32N2 — CID 5018062

IUPAC4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine
SMILESC=CCC(N)(CC=C)C1=CC(CC(=C)C)NC(CC(=C)C)C1
InChIInChI=1S/C20H32N2/c1-7-9-20(21,10-8-2)17-13-18(11-15(3)4)22-19(14-17)12-16(5)6/h7-8,13,18-19,22H,1-3,5,9-12,14,21H2,4,6H3
InChIKeyWMHNXNGDBQGNPS-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.43
Rot. Bonds9

About 4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine

4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine (PubChem CID 5018062) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine.

Molecular Properties

Compound Name4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine
PubChem CID5018062
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine
SMILESC=CCC(N)(CC=C)C1=CC(CC(=C)C)NC(CC(=C)C)C1
InChIInChI=1S/C20H32N2/c1-7-9-20(21,10-8-2)17-13-18(11-15(3)4)22-19(14-17)12-16(5)6/h7-8,13,18-19,22H,1-3,5,9-12,14,21H2,4,6H3
InChIKeyWMHNXNGDBQGNPS-UHFFFAOYSA-N
XLogP4.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-N'-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}propane-1,3-diamine
CID 2855628
N'-[3-[1,7-di(cyclohex-3-en-1-yl)heptan-4-ylamino]propyl]propane-1,3-diamine;hydrochloride
CID 90674841
(4R)-1-N-[3-(cycloheptylmethylamino)propyl]cyclohept-2-ene-1,4-diamine
CID 44288208
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
2,3-Iminosqualene
CID 6438481
(1R,4S)-N1-[3-(cycloheptylmethylamino)propyl]cyclohept-2-ene-1,4-diamine
CID 487179
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
N-Ethyl-5-(1-(ethylamino)-1-methylethyl)-2-methyl-2-cyclohexen-1-amine
CID 375999
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine?
The IUPAC name of 4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine (CID 5018062) is 4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine.
What is the SMILES notation for 4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine?
The canonical SMILES for 4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine is C=CCC(N)(CC=C)C1=CC(CC(=C)C)NC(CC(=C)C)C1.
What is the InChIKey of 4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine?
The InChIKey is WMHNXNGDBQGNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-7-9-20(21,10-8-2)17-13-18(11-15(3)4)22-19(14-17)12-16(5)6/h7-8,13,18-19,22H,1-3,5,9-12,14,21H2,4,6H3.
What are the key properties of 4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine?
4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine has a molecular weight of 300.49 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(2-methylprop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine is sourced from PubChem (CID 5018062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).