N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine

C19H32N2 — CID 63494831

IUPACN-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CC)(CNC1CC1)CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C19H32N2/c1-6-19(7-2,13-20-17-8-9-17)14-21(5)18-11-15(3)10-16(4)12-18/h10-12,17,20H,6-9,13-14H2,1-5H3
InChIKeyZAONUIHYKBMNKN-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.30
Rot. Bonds8

About N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine

N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine (PubChem CID 63494831) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine
PubChem CID63494831
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CC)(CNC1CC1)CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C19H32N2/c1-6-19(7-2,13-20-17-8-9-17)14-21(5)18-11-15(3)10-16(4)12-18/h10-12,17,20H,6-9,13-14H2,1-5H3
InChIKeyZAONUIHYKBMNKN-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 63495021
N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine
CID 63494824
N-cyclopropyl-2,2-diethyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62259922
N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 62259045
N-cyclohexyl-N'-cyclopropyl-2,2-diethyl-N-methylpropane-1,3-diamine
CID 62263046
2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile
CID 63914454
N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 63504270
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494489
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62256141
N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62261002
N'-cyclopropyl-2,2-diethyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
CID 63495326
N-cyclopropyl-2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 63494314

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine (CID 63494831) is N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine is CCC(CC)(CNC1CC1)CN(C)c1cc(C)cc(C)c1.
What is the InChIKey of N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine?
The InChIKey is ZAONUIHYKBMNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-19(7-2,13-20-17-8-9-17)14-21(5)18-11-15(3)10-16(4)12-18/h10-12,17,20H,6-9,13-14H2,1-5H3.
What are the key properties of N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine?
N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63494831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).