3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine

C17H32N2 — CID 72671759

IUPAC3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine
SMILESCC(C)=CCCC(C)=CCNCCCN1CCCC1
InChIInChI=1S/C17H32N2/c1-16(2)8-6-9-17(3)10-12-18-11-7-15-19-13-4-5-14-19/h8,10,18H,4-7,9,11-15H2,1-3H3
InChIKeyRYGQGRFOKFDUQQ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.75
Rot. Bonds9

About 3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine

3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine (PubChem CID 72671759) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine.

Molecular Properties

Compound Name3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine
PubChem CID72671759
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine
SMILESCC(C)=CCCC(C)=CCNCCCN1CCCC1
InChIInChI=1S/C17H32N2/c1-16(2)8-6-9-17(3)10-12-18-11-7-15-19-13-4-5-14-19/h8,10,18H,4-7,9,11-15H2,1-3H3
InChIKeyRYGQGRFOKFDUQQ-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.75
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 3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine?
The IUPAC name of 3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine (CID 72671759) is 3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine.
What is the SMILES notation for 3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine?
The canonical SMILES for 3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine is CC(C)=CCCC(C)=CCNCCCN1CCCC1.
What is the InChIKey of 3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine?
The InChIKey is RYGQGRFOKFDUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-16(2)8-6-9-17(3)10-12-18-11-7-15-19-13-4-5-14-19/h8,10,18H,4-7,9,11-15H2,1-3H3.
What are the key properties of 3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine?
3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)octa-2,6-dien-1-amine is sourced from PubChem (CID 72671759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).