3-undecylnaphthalene-2,6-diamine

C21H32N2 — CID 150754371

IUPAC3-undecylnaphthalene-2,6-diamine
SMILESCCCCCCCCCCCc1cc2cc(N)ccc2cc1N
InChIInChI=1S/C21H32N2/c1-2-3-4-5-6-7-8-9-10-11-18-14-19-15-20(22)13-12-17(19)16-21(18)23/h12-16H,2-11,22-23H2,1H3
InChIKeyJWNRCDNFZXVISE-UHFFFAOYSA-N
MW312.50 g/mol
LogP6.08
Rot. Bonds10

About 3-undecylnaphthalene-2,6-diamine

3-undecylnaphthalene-2,6-diamine (PubChem CID 150754371) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 3-undecylnaphthalene-2,6-diamine.

Molecular Properties

Compound Name3-undecylnaphthalene-2,6-diamine
PubChem CID150754371
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name3-undecylnaphthalene-2,6-diamine
SMILESCCCCCCCCCCCc1cc2cc(N)ccc2cc1N
InChIInChI=1S/C21H32N2/c1-2-3-4-5-6-7-8-9-10-11-18-14-19-15-20(22)13-12-17(19)16-21(18)23/h12-16H,2-11,22-23H2,1H3
InChIKeyJWNRCDNFZXVISE-UHFFFAOYSA-N
XLogP6.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

o-Tolidine
CID 8413
2-Naphthylamine
CID 7057
1-Naphthylamine
CID 8640
2-Aminoanthracene
CID 11937
1,5-Diaminonaphthalene
CID 16720
2,4,5-Trimethylaniline
CID 8717
1,8-Diaminonaphthalene
CID 68067
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
1-Aminopyrene
CID 15352
3,3',5,5'-Tetramethylbenzidine
CID 41206
1-Aminoanthracene
CID 11885
3,3'-Dimethylbenzidine dihydrochloride
CID 108938

Frequently Asked Questions

What is the IUPAC name of 3-undecylnaphthalene-2,6-diamine?
The IUPAC name of 3-undecylnaphthalene-2,6-diamine (CID 150754371) is 3-undecylnaphthalene-2,6-diamine.
What is the SMILES notation for 3-undecylnaphthalene-2,6-diamine?
The canonical SMILES for 3-undecylnaphthalene-2,6-diamine is CCCCCCCCCCCc1cc2cc(N)ccc2cc1N.
What is the InChIKey of 3-undecylnaphthalene-2,6-diamine?
The InChIKey is JWNRCDNFZXVISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c1-2-3-4-5-6-7-8-9-10-11-18-14-19-15-20(22)13-12-17(19)16-21(18)23/h12-16H,2-11,22-23H2,1H3.
What are the key properties of 3-undecylnaphthalene-2,6-diamine?
3-undecylnaphthalene-2,6-diamine has a molecular weight of 312.50 g/mol, XLogP of 6.08, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecylnaphthalene-2,6-diamine is sourced from PubChem (CID 150754371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).