N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine

C18H34N2 — CID 39820519

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC/C=C(\C)CCC=C(C)C)CC1
InChIInChI=1S/C18H34N2/c1-5-13-20-14-10-18(11-15-20)19-12-9-17(4)8-6-7-16(2)3/h7,9,18-19H,5-6,8,10-15H2,1-4H3/b17-9+
InChIKeyWWUIFXOEOGMQKZ-RQZCQDPDSA-N
MW278.48 g/mol
LogP4.14
Rot. Bonds8

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine (PubChem CID 39820519) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine
PubChem CID39820519
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC/C=C(\C)CCC=C(C)C)CC1
InChIInChI=1S/C18H34N2/c1-5-13-20-14-10-18(11-15-20)19-12-9-17(4)8-6-7-16(2)3/h7,9,18-19H,5-6,8,10-15H2,1-4H3/b17-9+
InChIKeyWWUIFXOEOGMQKZ-RQZCQDPDSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-[2-(aziridin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 5365864
3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine
CID 72671729
3-methyl-4-[(1-propylpiperidin-4-yl)amino]but-2-enoic acid
CID 103246980
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
1-[1-propyl-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazin-2-yl]ethanone
CID 18598243
N-(3-fluoropropyl)-1-propylpiperidin-4-amine
CID 81106690
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;2-methyloxaziridine
CID 20839770
1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine
CID 2059248

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine (CID 39820519) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine is CCCN1CCC(NC/C=C(\C)CCC=C(C)C)CC1.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine?
The InChIKey is WWUIFXOEOGMQKZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-13-20-14-10-18(11-15-20)19-12-9-17(4)8-6-7-16(2)3/h7,9,18-19H,5-6,8,10-15H2,1-4H3/b17-9+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine has a molecular weight of 278.48 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 39820519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).