N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine

C19H30N2O2 — CID 164638628

IUPACN'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESCOc1ccc(/C=C/CN(CCN(C)C)C[C@H]2CCCO2)cc1
InChIInChI=1S/C19H30N2O2/c1-20(2)13-14-21(16-19-7-5-15-23-19)12-4-6-17-8-10-18(22-3)11-9-17/h4,6,8-11,19H,5,7,12-16H2,1-3H3/b6-4+/t19-/m1/s1
InChIKeyAHDCRPJSMCESKB-FHHGHWCOSA-N
MW318.46 g/mol
LogP2.75
Rot. Bonds9

About N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine

N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine (PubChem CID 164638628) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine
PubChem CID164638628
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESCOc1ccc(/C=C/CN(CCN(C)C)C[C@H]2CCCO2)cc1
InChIInChI=1S/C19H30N2O2/c1-20(2)13-14-21(16-19-7-5-15-23-19)12-4-6-17-8-10-18(22-3)11-9-17/h4,6,8-11,19H,5,7,12-16H2,1-3H3/b6-4+/t19-/m1/s1
InChIKeyAHDCRPJSMCESKB-FHHGHWCOSA-N
XLogP2.75
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine (CID 164638628) is N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine is COc1ccc(/C=C/CN(CCN(C)C)C[C@H]2CCCO2)cc1.
What is the InChIKey of N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is AHDCRPJSMCESKB-FHHGHWCOSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-20(2)13-14-21(16-19-7-5-15-23-19)12-4-6-17-8-10-18(22-3)11-9-17/h4,6,8-11,19H,5,7,12-16H2,1-3H3/b6-4+/t19-/m1/s1.
What are the key properties of N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine?
N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 318.46 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 164638628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).