azane;1-butylnaphthalene;methane

C15H23N — CID 174691035

IUPACazane;1-butylnaphthalene;methane
SMILESC.CCCCc1cccc2ccccc12.N
InChIInChI=1S/C14H16.CH4.H3N/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13;;/h4-6,8-11H,2-3,7H2,1H3;1H4;1H3
InChIKeyNQOOTSXHIVOYNG-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.98
Rot. Bonds3

About azane;1-butylnaphthalene;methane

azane;1-butylnaphthalene;methane (PubChem CID 174691035) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is azane;1-butylnaphthalene;methane.

Molecular Properties

Compound Nameazane;1-butylnaphthalene;methane
PubChem CID174691035
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameazane;1-butylnaphthalene;methane
SMILESC.CCCCc1cccc2ccccc12.N
InChIInChI=1S/C14H16.CH4.H3N/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13;;/h4-6,8-11H,2-3,7H2,1H3;1H4;1H3
InChIKeyNQOOTSXHIVOYNG-UHFFFAOYSA-N
XLogP4.98
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butylnaphthalene;ethane
CID 142087052
1-tetradecylnaphthalene
CID 14402128
potassium;hydride;1-octylnaphthalene
CID 173443599
1-pentylnaphthalene;sulfuric acid
CID 172842201
methanamine;1-propylnaphthalene
CID 174438724
1-[(E)-icos-9-enyl]naphthalene
CID 101307696
1-[(E)-henicos-4-enyl]naphthalene
CID 101307724
1-nonylnaphthalene;sulfuric acid
CID 154996092
1-octadecylnaphthalene;sulfuric acid
CID 172709808
1-[(E)-undec-6-enyl]naphthalene
CID 101304389
1-[(E)-heptadec-10-enyl]naphthalene
CID 101307596
1-nonylnaphthalene;sulfuric acid
CID 172712573

Frequently Asked Questions

What is the IUPAC name of azane;1-butylnaphthalene;methane?
The IUPAC name of azane;1-butylnaphthalene;methane (CID 174691035) is azane;1-butylnaphthalene;methane.
What is the SMILES notation for azane;1-butylnaphthalene;methane?
The canonical SMILES for azane;1-butylnaphthalene;methane is C.CCCCc1cccc2ccccc12.N.
What is the InChIKey of azane;1-butylnaphthalene;methane?
The InChIKey is NQOOTSXHIVOYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.CH4.H3N/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13;;/h4-6,8-11H,2-3,7H2,1H3;1H4;1H3.
What are the key properties of azane;1-butylnaphthalene;methane?
azane;1-butylnaphthalene;methane has a molecular weight of 217.36 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-butylnaphthalene;methane is sourced from PubChem (CID 174691035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).