(5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine

C22H42N2 — CID 6480533

IUPAC(5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)NCCCN1CCCCC1C
InChIInChI=1S/C22H42N2/c1-19(2)11-8-12-20(3)13-9-14-21(4)23-16-10-18-24-17-7-6-15-22(24)5/h11,13,21-23H,6-10,12,14-18H2,1-5H3/b20-13+
InChIKeyFDQGRXRFBGNVSB-DEDYPNTBSA-N
MW334.59 g/mol
LogP5.70
Rot. Bonds11

About (5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine

(5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine (PubChem CID 6480533) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is (5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine.

Molecular Properties

Compound Name(5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine
PubChem CID6480533
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name(5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)NCCCN1CCCCC1C
InChIInChI=1S/C22H42N2/c1-19(2)11-8-12-20(3)13-9-14-21(4)23-16-10-18-24-17-7-6-15-22(24)5/h11,13,21-23H,6-10,12,14-18H2,1-5H3/b20-13+
InChIKeyFDQGRXRFBGNVSB-DEDYPNTBSA-N
XLogP5.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 55.70
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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Frequently Asked Questions

What is the IUPAC name of (5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine?
The IUPAC name of (5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine (CID 6480533) is (5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine.
What is the SMILES notation for (5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine?
The canonical SMILES for (5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine is CC(C)=CCC/C(C)=C/CCC(C)NCCCN1CCCCC1C.
What is the InChIKey of (5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine?
The InChIKey is FDQGRXRFBGNVSB-DEDYPNTBSA-N. The full InChI is InChI=1S/C22H42N2/c1-19(2)11-8-12-20(3)13-9-14-21(4)23-16-10-18-24-17-7-6-15-22(24)5/h11,13,21-23H,6-10,12,14-18H2,1-5H3/b20-13+.
What are the key properties of (5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine?
(5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine has a molecular weight of 334.59 g/mol, XLogP of 5.70, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6,10-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]undeca-5,9-dien-2-amine is sourced from PubChem (CID 6480533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).