1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine

C16H28N2 — CID 62390733

IUPAC1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1ccccc1CC
InChIInChI=1S/C16H28N2/c1-4-11-18(12-5-2)16(13-17)15-10-8-7-9-14(15)6-3/h7-10,16H,4-6,11-13,17H2,1-3H3
InChIKeyMNQPVYODVPGJEK-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.37
Rot. Bonds8

About 1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine

1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine (PubChem CID 62390733) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine
PubChem CID62390733
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1ccccc1CC
InChIInChI=1S/C16H28N2/c1-4-11-18(12-5-2)16(13-17)15-10-8-7-9-14(15)6-3/h7-10,16H,4-6,11-13,17H2,1-3H3
InChIKeyMNQPVYODVPGJEK-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine?
The IUPAC name of 1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine (CID 62390733) is 1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine.
What is the SMILES notation for 1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine?
The canonical SMILES for 1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine is CCCN(CCC)C(CN)c1ccccc1CC.
What is the InChIKey of 1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine?
The InChIKey is MNQPVYODVPGJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-11-18(12-5-2)16(13-17)15-10-8-7-9-14(15)6-3/h7-10,16H,4-6,11-13,17H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine?
1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine is sourced from PubChem (CID 62390733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).