N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine

C19H32N2 — CID 63494824

IUPACN-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCc1ccc(N(C)CC(CC)(CC)CNC2CC2)cc1
InChIInChI=1S/C19H32N2/c1-5-16-8-12-18(13-9-16)21(4)15-19(6-2,7-3)14-20-17-10-11-17/h8-9,12-13,17,20H,5-7,10-11,14-15H2,1-4H3
InChIKeyWMRAGMITOHOKPQ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds9

About N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine

N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 63494824) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID63494824
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCc1ccc(N(C)CC(CC)(CC)CNC2CC2)cc1
InChIInChI=1S/C19H32N2/c1-5-16-8-12-18(13-9-16)21(4)15-19(6-2,7-3)14-20-17-10-11-17/h8-9,12-13,17,20H,5-7,10-11,14-15H2,1-4H3
InChIKeyWMRAGMITOHOKPQ-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 63494831
N-cyclopropyl-2,2-diethyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62259922
N-cyclohexyl-N'-cyclopropyl-2,2-diethyl-N-methylpropane-1,3-diamine
CID 62263046
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62258429
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494489
N-cyclopropyl-2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 63494314
4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol
CID 62263957
2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol
CID 64789557
N-[(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43224673
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62256141
2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63495384
N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258731

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine (CID 63494824) is N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine is CCc1ccc(N(C)CC(CC)(CC)CNC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is WMRAGMITOHOKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-16-8-12-18(13-9-16)21(4)15-19(6-2,7-3)14-20-17-10-11-17/h8-9,12-13,17,20H,5-7,10-11,14-15H2,1-4H3.
What are the key properties of N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine?
N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63494824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).