(2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine

C19H36N2 — CID 69034989

IUPAC(2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CNCCCC1CCCCN1C
InChIInChI=1S/C19H36N2/c1-17(2)9-7-10-18(3)13-15-20-14-8-12-19-11-5-6-16-21(19)4/h9,13,19-20H,5-8,10-12,14-16H2,1-4H3/b18-13+
InChIKeyZELZDJWDSAQEFF-QGOAFFKASA-N
MW292.51 g/mol
LogP4.53
Rot. Bonds9

About (2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine

(2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine (PubChem CID 69034989) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is (2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine
PubChem CID69034989
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name(2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CNCCCC1CCCCN1C
InChIInChI=1S/C19H36N2/c1-17(2)9-7-10-18(3)13-15-20-14-8-12-19-11-5-6-16-21(19)4/h9,13,19-20H,5-8,10-12,14-16H2,1-4H3/b18-13+
InChIKeyZELZDJWDSAQEFF-QGOAFFKASA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.53
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 (2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine?
The IUPAC name of (2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine (CID 69034989) is (2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine.
What is the SMILES notation for (2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine?
The canonical SMILES for (2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine is CC(C)=CCC/C(C)=C/CNCCCC1CCCCN1C.
What is the InChIKey of (2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine?
The InChIKey is ZELZDJWDSAQEFF-QGOAFFKASA-N. The full InChI is InChI=1S/C19H36N2/c1-17(2)9-7-10-18(3)13-15-20-14-8-12-19-11-5-6-16-21(19)4/h9,13,19-20H,5-8,10-12,14-16H2,1-4H3/b18-13+.
What are the key properties of (2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine?
(2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine is sourced from PubChem (CID 69034989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).