1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

C17H28N2O2 — CID 63878903

IUPAC1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCNC(CN(C)CC1CC1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H28N2O2/c1-12-8-14(12)10-19(3)11-15(18-2)13-6-7-16(20-4)17(9-13)21-5/h6-7,9,12,14-15,18H,8,10-11H2,1-5H3
InChIKeyQCPCLSKVXBGSLC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.55
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 63878903) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
PubChem CID63878903
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCNC(CN(C)CC1CC1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H28N2O2/c1-12-8-14(12)10-19(3)11-15(18-2)13-6-7-16(20-4)17(9-13)21-5/h6-7,9,12,14-15,18H,8,10-11H2,1-5H3
InChIKeyQCPCLSKVXBGSLC-UHFFFAOYSA-N
XLogP2.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (CID 63878903) is 1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is CNC(CN(C)CC1CC1C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is QCPCLSKVXBGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-8-14(12)10-19(3)11-15(18-2)13-6-7-16(20-4)17(9-13)21-5/h6-7,9,12,14-15,18H,8,10-11H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63878903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).