N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine

C19H34N2 — CID 63493766

IUPACN'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCC(C)C)c1ccccc1C
InChIInChI=1S/C19H34N2/c1-6-13-20-19(18-10-8-7-9-17(18)4)12-15-21(5)14-11-16(2)3/h7-10,16,19-20H,6,11-15H2,1-5H3
InChIKeyBARSWQRYANIAHX-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.40
Rot. Bonds10

About N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine

N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine (PubChem CID 63493766) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
PubChem CID63493766
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCC(C)C)c1ccccc1C
InChIInChI=1S/C19H34N2/c1-6-13-20-19(18-10-8-7-9-17(18)4)12-15-21(5)14-11-16(2)3/h7-10,16,19-20H,6,11-15H2,1-5H3
InChIKeyBARSWQRYANIAHX-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987446
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63483080
1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine
CID 63464856
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
N-[2-(3-methylbutylsulfonyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107760339
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine (CID 63493766) is N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine is CCCNC(CCN(C)CCC(C)C)c1ccccc1C.
What is the InChIKey of N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine?
The InChIKey is BARSWQRYANIAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-13-20-19(18-10-8-7-9-17(18)4)12-15-21(5)14-11-16(2)3/h7-10,16,19-20H,6,11-15H2,1-5H3.
What are the key properties of N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine?
N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine is sourced from PubChem (CID 63493766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).