2,4,5,6-tetrapropylbenzene-1,3-diamine

C18H32N2 — CID 87165891

IUPAC2,4,5,6-tetrapropylbenzene-1,3-diamine
SMILESCCCc1c(N)c(CCC)c(CCC)c(CCC)c1N
InChIInChI=1S/C18H32N2/c1-5-9-13-14(10-6-2)17(19)16(12-8-4)18(20)15(13)11-7-3/h5-12,19-20H2,1-4H3
InChIKeyOKHJOGBJBSEFMP-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.66
Rot. Bonds8

About 2,4,5,6-tetrapropylbenzene-1,3-diamine

2,4,5,6-tetrapropylbenzene-1,3-diamine (PubChem CID 87165891) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2,4,5,6-tetrapropylbenzene-1,3-diamine.

Molecular Properties

Compound Name2,4,5,6-tetrapropylbenzene-1,3-diamine
PubChem CID87165891
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2,4,5,6-tetrapropylbenzene-1,3-diamine
SMILESCCCc1c(N)c(CCC)c(CCC)c(CCC)c1N
InChIInChI=1S/C18H32N2/c1-5-9-13-14(10-6-2)17(19)16(12-8-4)18(20)15(13)11-7-3/h5-12,19-20H2,1-4H3
InChIKeyOKHJOGBJBSEFMP-UHFFFAOYSA-N
XLogP4.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

azane;3,4-dipropylbenzene-1,2-diamine
CID 22352094
5-[(5-amino-4-iodo-2,3-dipropylphenyl)methyl]-2-iodo-3,4-dipropylaniline
CID 87555717
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
5-bromo-2-methyl-3-propylpyridin-4-amine
CID 69238280
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
3-iodo-2-propylaniline
CID 170306799
5-cyclopropyl-4-propyl-1H-pyrazol-3-amine
CID 79406037
butane;methanamine
CID 22416644
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
2-methyl-3,4-dipropylaniline
CID 70515438
5-amino-4-propyl-1,2-oxazol-3-one
CID 55289032
4-propylpyridazine-3,5-diamine
CID 174928116

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrapropylbenzene-1,3-diamine?
The IUPAC name of 2,4,5,6-tetrapropylbenzene-1,3-diamine (CID 87165891) is 2,4,5,6-tetrapropylbenzene-1,3-diamine.
What is the SMILES notation for 2,4,5,6-tetrapropylbenzene-1,3-diamine?
The canonical SMILES for 2,4,5,6-tetrapropylbenzene-1,3-diamine is CCCc1c(N)c(CCC)c(CCC)c(CCC)c1N.
What is the InChIKey of 2,4,5,6-tetrapropylbenzene-1,3-diamine?
The InChIKey is OKHJOGBJBSEFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-9-13-14(10-6-2)17(19)16(12-8-4)18(20)15(13)11-7-3/h5-12,19-20H2,1-4H3.
What are the key properties of 2,4,5,6-tetrapropylbenzene-1,3-diamine?
2,4,5,6-tetrapropylbenzene-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrapropylbenzene-1,3-diamine is sourced from PubChem (CID 87165891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).