azane;1-hexyl-7-methylnaphthalene

C17H25N — CID 174691158

IUPACazane;1-hexyl-7-methylnaphthalene
SMILESCCCCCCc1cccc2ccc(C)cc12.N
InChIInChI=1S/C17H22.H3N/c1-3-4-5-6-8-15-9-7-10-16-12-11-14(2)13-17(15)16;/h7,9-13H,3-6,8H2,1-2H3;1H3
InChIKeyNXUGDHFZTRZFDP-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.43
Rot. Bonds5

About azane;1-hexyl-7-methylnaphthalene

azane;1-hexyl-7-methylnaphthalene (PubChem CID 174691158) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is azane;1-hexyl-7-methylnaphthalene.

Molecular Properties

Compound Nameazane;1-hexyl-7-methylnaphthalene
PubChem CID174691158
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Nameazane;1-hexyl-7-methylnaphthalene
SMILESCCCCCCc1cccc2ccc(C)cc12.N
InChIInChI=1S/C17H22.H3N/c1-3-4-5-6-8-15-9-7-10-16-12-11-14(2)13-17(15)16;/h7,9-13H,3-6,8H2,1-2H3;1H3
InChIKeyNXUGDHFZTRZFDP-UHFFFAOYSA-N
XLogP5.43
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,7-di(nonyl)naphthalene
CID 173372724
1-tetradecylnaphthalene
CID 14402128
1-dodecylpentacene
CID 141370235
lithium;1-hexylanthracene;hydride
CID 174350658
1-ethyl-7-methylnaphthalene
CID 12778771
potassium;hydride;1-octylnaphthalene
CID 173443599
8-decylnaphthalene-2-sulfonic acid
CID 101315066
ethane;1-ethyl-7-methylnaphthalene
CID 91014752
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-octadecylnaphthalene;sulfuric acid
CID 172709808
1-nonylnaphthalene;sulfuric acid
CID 154996092
3,8-didodecylnaphthalene-2-sulfonic acid
CID 101319611

Frequently Asked Questions

What is the IUPAC name of azane;1-hexyl-7-methylnaphthalene?
The IUPAC name of azane;1-hexyl-7-methylnaphthalene (CID 174691158) is azane;1-hexyl-7-methylnaphthalene.
What is the SMILES notation for azane;1-hexyl-7-methylnaphthalene?
The canonical SMILES for azane;1-hexyl-7-methylnaphthalene is CCCCCCc1cccc2ccc(C)cc12.N.
What is the InChIKey of azane;1-hexyl-7-methylnaphthalene?
The InChIKey is NXUGDHFZTRZFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22.H3N/c1-3-4-5-6-8-15-9-7-10-16-12-11-14(2)13-17(15)16;/h7,9-13H,3-6,8H2,1-2H3;1H3.
What are the key properties of azane;1-hexyl-7-methylnaphthalene?
azane;1-hexyl-7-methylnaphthalene has a molecular weight of 243.39 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-hexyl-7-methylnaphthalene is sourced from PubChem (CID 174691158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).