2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine

C19H34N2 — CID 43309942

IUPAC2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
SMILESCCCCN(CCCC)C(C)C(N)c1ccc(CC)cc1
InChIInChI=1S/C19H34N2/c1-5-8-14-21(15-9-6-2)16(4)19(20)18-12-10-17(7-3)11-13-18/h10-13,16,19H,5-9,14-15,20H2,1-4H3
InChIKeyOKLFZAAORLXAAY-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.54
Rot. Bonds10

About 2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine

2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine (PubChem CID 43309942) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
PubChem CID43309942
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
SMILESCCCCN(CCCC)C(C)C(N)c1ccc(CC)cc1
InChIInChI=1S/C19H34N2/c1-5-8-14-21(15-9-6-2)16(4)19(20)18-12-10-17(7-3)11-13-18/h10-13,16,19H,5-9,14-15,20H2,1-4H3
InChIKeyOKLFZAAORLXAAY-UHFFFAOYSA-N
XLogP4.54
TPSA29.26 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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 43309968
2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine
CID 63469585
2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine
CID 79477411
1-(4-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 43105242
1-(4-ethylphenyl)-2-pentoxypropan-1-amine
CID 43310113
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55125992
1-(4-ethylphenyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 60890609
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine (CID 43309942) is 2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine is CCCCN(CCCC)C(C)C(N)c1ccc(CC)cc1.
What is the InChIKey of 2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine?
The InChIKey is OKLFZAAORLXAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-8-14-21(15-9-6-2)16(4)19(20)18-12-10-17(7-3)11-13-18/h10-13,16,19H,5-9,14-15,20H2,1-4H3.
What are the key properties of 2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine?
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 43309942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).