1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine

C22H34N2 — CID 86051450

IUPAC1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine
SMILESCCCN(CCC)c1cccc2cccc(N(CCC)CCC)c12
InChIInChI=1S/C22H34N2/c1-5-15-23(16-6-2)20-13-9-11-19-12-10-14-21(22(19)20)24(17-7-3)18-8-4/h9-14H,5-8,15-18H2,1-4H3
InChIKeyZUACIYNRHYLAHO-UHFFFAOYSA-N
MW326.53 g/mol
LogP6.09
Rot. Bonds10

About 1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine

1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine (PubChem CID 86051450) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine
PubChem CID86051450
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine
SMILESCCCN(CCC)c1cccc2cccc(N(CCC)CCC)c12
InChIInChI=1S/C22H34N2/c1-5-15-23(16-6-2)20-13-9-11-19-12-10-14-21(22(19)20)24(17-7-3)18-8-4/h9-14H,5-8,15-18H2,1-4H3
InChIKeyZUACIYNRHYLAHO-UHFFFAOYSA-N
XLogP6.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine?
The IUPAC name of 1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine (CID 86051450) is 1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine.
What is the SMILES notation for 1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine?
The canonical SMILES for 1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine is CCCN(CCC)c1cccc2cccc(N(CCC)CCC)c12.
What is the InChIKey of 1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine?
The InChIKey is ZUACIYNRHYLAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-5-15-23(16-6-2)20-13-9-11-19-12-10-14-21(22(19)20)24(17-7-3)18-8-4/h9-14H,5-8,15-18H2,1-4H3.
What are the key properties of 1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine?
1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine has a molecular weight of 326.53 g/mol, XLogP of 6.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine is sourced from PubChem (CID 86051450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).