4-N,4-N-dipropylnaphthalene-1,4-diamine

C16H22N2 — CID 139621295

IUPAC4-N,4-N-dipropylnaphthalene-1,4-diamine
SMILESCCCN(CCC)c1ccc(N)c2ccccc12
InChIInChI=1S/C16H22N2/c1-3-11-18(12-4-2)16-10-9-15(17)13-7-5-6-8-14(13)16/h5-10H,3-4,11-12,17H2,1-2H3
InChIKeyQMDOCTIFGJGFSQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.05
Rot. Bonds5

About 4-N,4-N-dipropylnaphthalene-1,4-diamine

4-N,4-N-dipropylnaphthalene-1,4-diamine (PubChem CID 139621295) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-N,4-N-dipropylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dipropylnaphthalene-1,4-diamine
PubChem CID139621295
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-N,4-N-dipropylnaphthalene-1,4-diamine
SMILESCCCN(CCC)c1ccc(N)c2ccccc12
InChIInChI=1S/C16H22N2/c1-3-11-18(12-4-2)16-10-9-15(17)13-7-5-6-8-14(13)16/h5-10H,3-4,11-12,17H2,1-2H3
InChIKeyQMDOCTIFGJGFSQ-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dipropylnaphthalene-1,4-diamine?
The IUPAC name of 4-N,4-N-dipropylnaphthalene-1,4-diamine (CID 139621295) is 4-N,4-N-dipropylnaphthalene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dipropylnaphthalene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dipropylnaphthalene-1,4-diamine is CCCN(CCC)c1ccc(N)c2ccccc12.
What is the InChIKey of 4-N,4-N-dipropylnaphthalene-1,4-diamine?
The InChIKey is QMDOCTIFGJGFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-11-18(12-4-2)16-10-9-15(17)13-7-5-6-8-14(13)16/h5-10H,3-4,11-12,17H2,1-2H3.
What are the key properties of 4-N,4-N-dipropylnaphthalene-1,4-diamine?
4-N,4-N-dipropylnaphthalene-1,4-diamine has a molecular weight of 242.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dipropylnaphthalene-1,4-diamine is sourced from PubChem (CID 139621295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).