butane;N-methylmethanamine;naphthalen-1-ol

C16H25NO — CID 54239131

IUPACbutane;N-methylmethanamine;naphthalen-1-ol
SMILESCCCC.CNC.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C4H10.C2H7N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-4-2;1-3-2/h1-7,11H;3-4H2,1-2H3;3H,1-2H3
InChIKeyQOTHAYXSDQCQTH-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.19
Rot. Bonds1

About butane;N-methylmethanamine;naphthalen-1-ol

butane;N-methylmethanamine;naphthalen-1-ol (PubChem CID 54239131) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is butane;N-methylmethanamine;naphthalen-1-ol.

Molecular Properties

Compound Namebutane;N-methylmethanamine;naphthalen-1-ol
PubChem CID54239131
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Namebutane;N-methylmethanamine;naphthalen-1-ol
SMILESCCCC.CNC.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C4H10.C2H7N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-4-2;1-3-2/h1-7,11H;3-4H2,1-2H3;3H,1-2H3
InChIKeyQOTHAYXSDQCQTH-UHFFFAOYSA-N
XLogP4.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butane;naphthalen-1-ol
CID 142905950
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
chloromethane;ethane;naphthalen-1-ol
CID 144848699
methylcarbamic acid;naphthalen-1-ol
CID 53442833
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627
bis(naphthalen-1-ol);zirconium(2+);dichloride
CID 21243616
naphthalen-1-ol;zinc;hydrate
CID 175263139
naphthalen-1-ol;propanoic acid
CID 19792721
ethane;methane;bis(naphthalen-1-ol);phenol;propane
CID 158772612
bis(naphthalen-1-ol);phosphoric acid
CID 174499172
aniline;naphthalen-1-ol
CID 158910950

Frequently Asked Questions

What is the IUPAC name of butane;N-methylmethanamine;naphthalen-1-ol?
The IUPAC name of butane;N-methylmethanamine;naphthalen-1-ol (CID 54239131) is butane;N-methylmethanamine;naphthalen-1-ol.
What is the SMILES notation for butane;N-methylmethanamine;naphthalen-1-ol?
The canonical SMILES for butane;N-methylmethanamine;naphthalen-1-ol is CCCC.CNC.Oc1cccc2ccccc12.
What is the InChIKey of butane;N-methylmethanamine;naphthalen-1-ol?
The InChIKey is QOTHAYXSDQCQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C4H10.C2H7N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-4-2;1-3-2/h1-7,11H;3-4H2,1-2H3;3H,1-2H3.
What are the key properties of butane;N-methylmethanamine;naphthalen-1-ol?
butane;N-methylmethanamine;naphthalen-1-ol has a molecular weight of 247.38 g/mol, XLogP of 4.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-methylmethanamine;naphthalen-1-ol is sourced from PubChem (CID 54239131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).