2-undecylnaphthalene-1,4-diamine

C21H32N2 — CID 151031394

IUPAC2-undecylnaphthalene-1,4-diamine
SMILESCCCCCCCCCCCc1cc(N)c2ccccc2c1N
InChIInChI=1S/C21H32N2/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21(17)23/h11-12,14-16H,2-10,13,22-23H2,1H3
InChIKeyMADFOFCYDBIODD-UHFFFAOYSA-N
MW312.50 g/mol
LogP6.08
Rot. Bonds10

About 2-undecylnaphthalene-1,4-diamine

2-undecylnaphthalene-1,4-diamine (PubChem CID 151031394) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 2-undecylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name2-undecylnaphthalene-1,4-diamine
PubChem CID151031394
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name2-undecylnaphthalene-1,4-diamine
SMILESCCCCCCCCCCCc1cc(N)c2ccccc2c1N
InChIInChI=1S/C21H32N2/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21(17)23/h11-12,14-16H,2-10,13,22-23H2,1H3
InChIKeyMADFOFCYDBIODD-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

2-hexadecylnaphthalen-1-amine
CID 57354886
10-octylanthracen-9-amine
CID 87887624
2-tetradecylaniline
CID 22218918
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
3-hexadecylbenzene-1,2-diamine
CID 21486063
3-heptylbenzene-1,2-diamine
CID 54294278
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
2-hexylpyren-1-amine
CID 87887526

Frequently Asked Questions

What is the IUPAC name of 2-undecylnaphthalene-1,4-diamine?
The IUPAC name of 2-undecylnaphthalene-1,4-diamine (CID 151031394) is 2-undecylnaphthalene-1,4-diamine.
What is the SMILES notation for 2-undecylnaphthalene-1,4-diamine?
The canonical SMILES for 2-undecylnaphthalene-1,4-diamine is CCCCCCCCCCCc1cc(N)c2ccccc2c1N.
What is the InChIKey of 2-undecylnaphthalene-1,4-diamine?
The InChIKey is MADFOFCYDBIODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21(17)23/h11-12,14-16H,2-10,13,22-23H2,1H3.
What are the key properties of 2-undecylnaphthalene-1,4-diamine?
2-undecylnaphthalene-1,4-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 2-undecylnaphthalene-1,4-diamine is sourced from PubChem (CID 151031394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).