N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine

C19H34N2 — CID 63482896

IUPACN',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCCCN(CCCC)CCC(NC)c1ccc(C)cc1
InChIInChI=1S/C19H34N2/c1-5-7-14-21(15-8-6-2)16-13-19(20-4)18-11-9-17(3)10-12-18/h9-12,19-20H,5-8,13-16H2,1-4H3
InChIKeyBPNMNLUHKNEYMV-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.55
Rot. Bonds11

About N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine

N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 63482896) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID63482896
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCCCN(CCCC)CCC(NC)c1ccc(C)cc1
InChIInChI=1S/C19H34N2/c1-5-7-14-21(15-8-6-2)16-13-19(20-4)18-11-9-17(3)10-12-18/h9-12,19-20H,5-8,13-16H2,1-4H3
InChIKeyBPNMNLUHKNEYMV-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134
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',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
N,N'-dimethyl-N'-(4-methylpentan-2-yl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619308
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865
N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 55099227
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine (CID 63482896) is N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine is CCCCN(CCCC)CCC(NC)c1ccc(C)cc1.
What is the InChIKey of N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is BPNMNLUHKNEYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-7-14-21(15-8-6-2)16-13-19(20-4)18-11-9-17(3)10-12-18/h9-12,19-20H,5-8,13-16H2,1-4H3.
What are the key properties of N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine?
N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.55, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 63482896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).