1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine

C18H30N2O — CID 114521865

IUPAC1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H30N2O/c1-4-19-18(12-13-20(5-2)6-3)15-8-7-9-17(14-15)21-16-10-11-16/h7-9,14,16,18-19H,4-6,10-13H2,1-3H3
InChIKeyYGATWOFETPCSTM-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds10

About 1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine

1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine (PubChem CID 114521865) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
PubChem CID114521865
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H30N2O/c1-4-19-18(12-13-20(5-2)6-3)15-8-7-9-17(14-15)21-16-10-11-16/h7-9,14,16,18-19H,4-6,10-13H2,1-3H3
InChIKeyYGATWOFETPCSTM-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-cyclopropyloxyphenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244252
1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114519577
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
1-(3-cyclopropyloxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547261
2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 114521755
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 114521652
N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 107401542
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine (CID 114521865) is 1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine is CCNC(CCN(CC)CC)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The InChIKey is YGATWOFETPCSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-18(12-13-20(5-2)6-3)15-8-7-9-17(14-15)21-16-10-11-16/h7-9,14,16,18-19H,4-6,10-13H2,1-3H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 114521865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).