(5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine

C19H37N3 — CID 5389110

IUPAC(5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)NCCN1CCNCC1
InChIInChI=1S/C19H37N3/c1-17(2)7-5-8-18(3)9-6-10-19(4)21-13-16-22-14-11-20-12-15-22/h7,9,19-21H,5-6,8,10-16H2,1-4H3/b18-9+
InChIKeyUDVLXVKLNWJVCX-GIJQJNRQSA-N
MW307.53 g/mol
LogP3.34
Rot. Bonds10

About (5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine

(5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine (PubChem CID 5389110) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is (5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine.

Molecular Properties

Compound Name(5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine
PubChem CID5389110
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name(5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine
SMILESCC(C)=CCC/C(C)=C/CCC(C)NCCN1CCNCC1
InChIInChI=1S/C19H37N3/c1-17(2)7-5-8-18(3)9-6-10-19(4)21-13-16-22-14-11-20-12-15-22/h7,9,19-21H,5-6,8,10-16H2,1-4H3/b18-9+
InChIKeyUDVLXVKLNWJVCX-GIJQJNRQSA-N
XLogP3.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine?
The IUPAC name of (5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine (CID 5389110) is (5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine.
What is the SMILES notation for (5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine?
The canonical SMILES for (5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine is CC(C)=CCC/C(C)=C/CCC(C)NCCN1CCNCC1.
What is the InChIKey of (5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine?
The InChIKey is UDVLXVKLNWJVCX-GIJQJNRQSA-N. The full InChI is InChI=1S/C19H37N3/c1-17(2)7-5-8-18(3)9-6-10-19(4)21-13-16-22-14-11-20-12-15-22/h7,9,19-21H,5-6,8,10-16H2,1-4H3/b18-9+.
What are the key properties of (5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine?
(5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine has a molecular weight of 307.53 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine is sourced from PubChem (CID 5389110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).