N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine

C16H28N2 — CID 54806040

IUPACN-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNc1ccc(C)cc1C
InChIInChI=1S/C16H28N2/c1-5-10-18(11-6-2)12-9-17-16-8-7-14(3)13-15(16)4/h7-8,13,17H,5-6,9-12H2,1-4H3
InChIKeyQFSKEDDGTRUZAK-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.84
Rot. Bonds8

About N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine

N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine (PubChem CID 54806040) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine
PubChem CID54806040
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNc1ccc(C)cc1C
InChIInChI=1S/C16H28N2/c1-5-10-18(11-6-2)12-9-17-16-8-7-14(3)13-15(16)4/h7-8,13,17H,5-6,9-12H2,1-4H3
InChIKeyQFSKEDDGTRUZAK-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54810001
N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 54805874
N-(2,4-dimethylphenyl)-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);dibromide
CID 21097706
N-(2-chloro-4-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28967872
3-[2-(dipropylamino)ethylamino]cyclobut-3-ene-1,2-dione
CID 155599638
5-(2,4-dimethylanilino)pentanenitrile
CID 60679541
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 62575820
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine (CID 54806040) is N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CCNc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine?
The InChIKey is QFSKEDDGTRUZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-10-18(11-6-2)12-9-17-16-8-7-14(3)13-15(16)4/h7-8,13,17H,5-6,9-12H2,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine?
N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 54806040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).