1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine

C18H30N2O — CID 114519571

IUPAC1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccc(OC2CC2)cc1)N(C)C
InChIInChI=1S/C18H30N2O/c1-6-18(7-2,20(4)5)17(19-3)14-8-10-15(11-9-14)21-16-12-13-16/h8-11,16-17,19H,6-7,12-13H2,1-5H3
InChIKeyGUIWOVGAPXZRHC-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds8

About 1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine

1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine (PubChem CID 114519571) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
PubChem CID114519571
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccc(OC2CC2)cc1)N(C)C
InChIInChI=1S/C18H30N2O/c1-6-18(7-2,20(4)5)17(19-3)14-8-10-15(11-9-14)21-16-12-13-16/h8-11,16-17,19H,6-7,12-13H2,1-5H3
InChIKeyGUIWOVGAPXZRHC-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79061588
1-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114519557
2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062004
1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 114519558
1-(4-cyclopropyloxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239235
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine
CID 114519466
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114519800
(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine (CID 114519571) is 1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine is CCC(CC)(C(NC)c1ccc(OC2CC2)cc1)N(C)C.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The InChIKey is GUIWOVGAPXZRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-18(7-2,20(4)5)17(19-3)14-8-10-15(11-9-14)21-16-12-13-16/h8-11,16-17,19H,6-7,12-13H2,1-5H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine is sourced from PubChem (CID 114519571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).