1-N,1-N-dipropylnaphthalene-1,5-diamine

C16H22N2 — CID 139621321

IUPAC1-N,1-N-dipropylnaphthalene-1,5-diamine
SMILESCCCN(CCC)c1cccc2c(N)cccc12
InChIInChI=1S/C16H22N2/c1-3-11-18(12-4-2)16-10-6-7-13-14(16)8-5-9-15(13)17/h5-10H,3-4,11-12,17H2,1-2H3
InChIKeyGSXHUWJECSPOEW-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.05
Rot. Bonds5

About 1-N,1-N-dipropylnaphthalene-1,5-diamine

1-N,1-N-dipropylnaphthalene-1,5-diamine (PubChem CID 139621321) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-N,1-N-dipropylnaphthalene-1,5-diamine.

Molecular Properties

Compound Name1-N,1-N-dipropylnaphthalene-1,5-diamine
PubChem CID139621321
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-N,1-N-dipropylnaphthalene-1,5-diamine
SMILESCCCN(CCC)c1cccc2c(N)cccc12
InChIInChI=1S/C16H22N2/c1-3-11-18(12-4-2)16-10-6-7-13-14(16)8-5-9-15(13)17/h5-10H,3-4,11-12,17H2,1-2H3
InChIKeyGSXHUWJECSPOEW-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 1-N,1-N-dipropylnaphthalene-1,5-diamine?
The IUPAC name of 1-N,1-N-dipropylnaphthalene-1,5-diamine (CID 139621321) is 1-N,1-N-dipropylnaphthalene-1,5-diamine.
What is the SMILES notation for 1-N,1-N-dipropylnaphthalene-1,5-diamine?
The canonical SMILES for 1-N,1-N-dipropylnaphthalene-1,5-diamine is CCCN(CCC)c1cccc2c(N)cccc12.
What is the InChIKey of 1-N,1-N-dipropylnaphthalene-1,5-diamine?
The InChIKey is GSXHUWJECSPOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-11-18(12-4-2)16-10-6-7-13-14(16)8-5-9-15(13)17/h5-10H,3-4,11-12,17H2,1-2H3.
What are the key properties of 1-N,1-N-dipropylnaphthalene-1,5-diamine?
1-N,1-N-dipropylnaphthalene-1,5-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 1-N,1-N-dipropylnaphthalene-1,5-diamine is sourced from PubChem (CID 139621321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).