N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine

C16H28N2 — CID 62619243

IUPACN'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H28N2/c1-6-18(13(2)3)12-11-16(17-5)15-9-7-14(4)8-10-15/h7-10,13,16-17H,6,11-12H2,1-5H3
InChIKeyVKKYOQNFCBRAAX-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.38
Rot. Bonds7

About N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine

N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62619243) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62619243
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H28N2/c1-6-18(13(2)3)12-11-16(17-5)15-9-7-14(4)8-10-15/h7-10,13,16-17H,6,11-12H2,1-5H3
InChIKeyVKKYOQNFCBRAAX-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N'-(4-methylpentan-2-yl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619308
1-(4-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493912
N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63482896
N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 55099227
2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 82949092
N-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82940916
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62613776
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62645335
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618960
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine (CID 62619243) is N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine is CCN(CCC(NC)c1ccc(C)cc1)C(C)C.
What is the InChIKey of N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is VKKYOQNFCBRAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-18(13(2)3)12-11-16(17-5)15-9-7-14(4)8-10-15/h7-10,13,16-17H,6,11-12H2,1-5H3.
What are the key properties of N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62619243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).