N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine

C19H34N2 — CID 79480262

IUPACN,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC(C)CC)c1ccccc1C
InChIInChI=1S/C19H34N2/c1-6-16(4)15-21(8-3)14-13-19(20-7-2)18-12-10-9-11-17(18)5/h9-12,16,19-20H,6-8,13-15H2,1-5H3
InChIKeyPSVYAQSMFDGHTR-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.40
Rot. Bonds10

About N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine

N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine (PubChem CID 79480262) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine
PubChem CID79480262
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC(C)CC)c1ccccc1C
InChIInChI=1S/C19H34N2/c1-6-16(4)15-21(8-3)14-13-19(20-7-2)18-12-10-9-11-17(18)5/h9-12,16,19-20H,6-8,13-15H2,1-5H3
InChIKeyPSVYAQSMFDGHTR-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

1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 79481550
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63483080
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
CID 79087347
N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002194
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 64521861
3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624194
N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
CID 63483594
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629425

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine (CID 79480262) is N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine is CCNC(CCN(CC)CC(C)CC)c1ccccc1C.
What is the InChIKey of N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is PSVYAQSMFDGHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-16(4)15-21(8-3)14-13-19(20-7-2)18-12-10-9-11-17(18)5/h9-12,16,19-20H,6-8,13-15H2,1-5H3.
What are the key properties of N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine?
N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-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,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 79480262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).