N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine

C21H36N2O — CID 146365054

IUPACN-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine
SMILESC=CC(OC)C1=C(/C=C\C)CC=C(CCN(C)CCC)N1CCC
InChIInChI=1S/C21H36N2O/c1-7-11-18-12-13-19(14-17-22(5)15-8-2)23(16-9-3)21(18)20(10-4)24-6/h7,10-11,13,20H,4,8-9,12,14-17H2,1-3,5-6H3/b11-7-
InChIKeyLFJURNDHJDRKCT-XFFZJAGNSA-N
MW332.53 g/mol
LogP4.75
Rot. Bonds11

About N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine

N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine (PubChem CID 146365054) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine
PubChem CID146365054
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC NameN-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine
SMILESC=CC(OC)C1=C(/C=C\C)CC=C(CCN(C)CCC)N1CCC
InChIInChI=1S/C21H36N2O/c1-7-11-18-12-13-19(14-17-22(5)15-8-2)23(16-9-3)21(18)20(10-4)24-6/h7,10-11,13,20H,4,8-9,12,14-17H2,1-3,5-6H3/b11-7-
InChIKeyLFJURNDHJDRKCT-XFFZJAGNSA-N
XLogP4.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
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 N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine?
The IUPAC name of N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine (CID 146365054) is N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine is C=CC(OC)C1=C(/C=C\C)CC=C(CCN(C)CCC)N1CCC.
What is the InChIKey of N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine?
The InChIKey is LFJURNDHJDRKCT-XFFZJAGNSA-N. The full InChI is InChI=1S/C21H36N2O/c1-7-11-18-12-13-19(14-17-22(5)15-8-2)23(16-9-3)21(18)20(10-4)24-6/h7,10-11,13,20H,4,8-9,12,14-17H2,1-3,5-6H3/b11-7-.
What are the key properties of N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine?
N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine has a molecular weight of 332.53 g/mol, XLogP of 4.75, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(1-methoxyprop-2-enyl)-5-[(Z)-prop-1-enyl]-1-propyl-4H-pyridin-2-yl]ethyl]-N-methylpropan-1-amine is sourced from PubChem (CID 146365054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).