1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine

C19H34N2O — CID 143622761

IUPAC1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine
SMILESC=C(C)/C(C)=C(\C=C/COC)C(C)N1CCC(NC)CC1C
InChIInChI=1S/C19H34N2O/c1-14(2)16(4)19(9-8-12-22-7)17(5)21-11-10-18(20-6)13-15(21)3/h8-9,15,17-18,20H,1,10-13H2,2-7H3/b9-8-,19-16+
InChIKeyQBVMGBPQVUAGRS-BAVYLSQVSA-N
MW306.49 g/mol
LogP3.54
Rot. Bonds7

About 1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine

1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine (PubChem CID 143622761) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine
PubChem CID143622761
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine
SMILESC=C(C)/C(C)=C(\C=C/COC)C(C)N1CCC(NC)CC1C
InChIInChI=1S/C19H34N2O/c1-14(2)16(4)19(9-8-12-22-7)17(5)21-11-10-18(20-6)13-15(21)3/h8-9,15,17-18,20H,1,10-13H2,2-7H3/b9-8-,19-16+
InChIKeyQBVMGBPQVUAGRS-BAVYLSQVSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine (CID 143622761) is 1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine is C=C(C)/C(C)=C(\C=C/COC)C(C)N1CCC(NC)CC1C.
What is the InChIKey of 1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine?
The InChIKey is QBVMGBPQVUAGRS-BAVYLSQVSA-N. The full InChI is InChI=1S/C19H34N2O/c1-14(2)16(4)19(9-8-12-22-7)17(5)21-11-10-18(20-6)13-15(21)3/h8-9,15,17-18,20H,1,10-13H2,2-7H3/b9-8-,19-16+.
What are the key properties of 1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine?
1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine has a molecular weight of 306.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-[(Z)-3-methoxyprop-1-enyl]-4,5-dimethylhexa-3,5-dien-2-yl]-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 143622761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).