3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine

C22H40N2 — CID 72671729

IUPAC3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCNCCCN1CCCC1
InChIInChI=1S/C22H40N2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-16-23-15-9-19-24-17-5-6-18-24/h10,12,14,23H,5-9,11,13,15-19H2,1-4H3
InChIKeyPEWBZCRSCVXWEW-UHFFFAOYSA-N
MW332.58 g/mol
LogP5.48
Rot. Bonds12

About 3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine

3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine (PubChem CID 72671729) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine
PubChem CID72671729
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCNCCCN1CCCC1
InChIInChI=1S/C22H40N2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-16-23-15-9-19-24-17-5-6-18-24/h10,12,14,23H,5-9,11,13,15-19H2,1-4H3
InChIKeyPEWBZCRSCVXWEW-UHFFFAOYSA-N
XLogP5.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
N'-[3-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propyl]octane-1,8-diamine
CID 147822843
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine
CID 39820519
N'-(2-adamantyl)-N-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine;dihydrochloride
CID 46866182
(2E)-N-[3-(1-adamantyl)propyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 165083551
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
N-(anthracen-9-ylmethyl)-4-[4-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]butan-1-amine
CID 44626870
(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
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
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

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine?
The IUPAC name of 3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine (CID 72671729) is 3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine.
What is the SMILES notation for 3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine?
The canonical SMILES for 3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine is CC(C)=CCCC(C)=CCCC(C)=CCNCCCN1CCCC1.
What is the InChIKey of 3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine?
The InChIKey is PEWBZCRSCVXWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-16-23-15-9-19-24-17-5-6-18-24/h10,12,14,23H,5-9,11,13,15-19H2,1-4H3.
What are the key properties of 3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine?
3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine has a molecular weight of 332.58 g/mol, XLogP of 5.48, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 72671729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).