N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine

C17H28N2O — CID 62260608

IUPACN-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(C)c1ccccc1OC
InChIInChI=1S/C17H28N2O/c1-5-17(2,12-18-14-10-11-14)13-19(3)15-8-6-7-9-16(15)20-4/h6-9,14,18H,5,10-13H2,1-4H3
InChIKeyDLMQNPAATBASCB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.30
Rot. Bonds8

About N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine

N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 62260608) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID62260608
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(C)c1ccccc1OC
InChIInChI=1S/C17H28N2O/c1-5-17(2,12-18-14-10-11-14)13-19(3)15-8-6-7-9-16(15)20-4/h6-9,14,18H,5,10-13H2,1-4H3
InChIKeyDLMQNPAATBASCB-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine (CID 62260608) is N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine is CCC(C)(CNC1CC1)CN(C)c1ccccc1OC.
What is the InChIKey of N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is DLMQNPAATBASCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-17(2,12-18-14-10-11-14)13-19(3)15-8-6-7-9-16(15)20-4/h6-9,14,18H,5,10-13H2,1-4H3.
What are the key properties of N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine?
N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62260608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).