1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine

C16H28N2 — CID 55016609

IUPAC1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
SMILESCCCN(C(C)C)C(c1ccc(C)cc1)C(C)N
InChIInChI=1S/C16H28N2/c1-6-11-18(12(2)3)16(14(5)17)15-9-7-13(4)8-10-15/h7-10,12,14,16H,6,11,17H2,1-5H3
InChIKeyYJXPUTOOHOESCZ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.50
Rot. Bonds6

About 1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine

1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine (PubChem CID 55016609) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
PubChem CID55016609
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
SMILESCCCN(C(C)C)C(c1ccc(C)cc1)C(C)N
InChIInChI=1S/C16H28N2/c1-6-11-18(12(2)3)16(14(5)17)15-9-7-13(4)8-10-15/h7-10,12,14,16H,6,11,17H2,1-5H3
InChIKeyYJXPUTOOHOESCZ-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine (CID 55016609) is 1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine is CCCN(C(C)C)C(c1ccc(C)cc1)C(C)N.
What is the InChIKey of 1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
The InChIKey is YJXPUTOOHOESCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-11-18(12(2)3)16(14(5)17)15-9-7-13(4)8-10-15/h7-10,12,14,16H,6,11,17H2,1-5H3.
What are the key properties of 1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine?
1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 55016609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).