butane;N-methylmethanamine;hydrochloride

C6H18ClN — CID 174856882

IUPACbutane;N-methylmethanamine;hydrochloride
SMILESCCCC.CNC.Cl
InChIInChI=1S/C4H10.C2H7N.ClH/c1-3-4-2;1-3-2;/h3-4H2,1-2H3;3H,1-2H3;1H
InChIKeyIPCVBFRZCWFCTQ-UHFFFAOYSA-N
MW139.67 g/mol
LogP2.06
Rot. Bonds1

About butane;N-methylmethanamine;hydrochloride

butane;N-methylmethanamine;hydrochloride (PubChem CID 174856882) has the molecular formula C6H18ClN and a molecular weight of 139.67 g/mol. Its IUPAC name is butane;N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Namebutane;N-methylmethanamine;hydrochloride
PubChem CID174856882
Molecular FormulaC6H18ClN
Molecular Weight139.67 g/mol
Exact Mass139.11
IUPAC Namebutane;N-methylmethanamine;hydrochloride
SMILESCCCC.CNC.Cl
InChIInChI=1S/C4H10.C2H7N.ClH/c1-3-4-2;1-3-2;/h3-4H2,1-2H3;3H,1-2H3;1H
InChIKeyIPCVBFRZCWFCTQ-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.67
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;N-methylmethanamine;hydrochloride?
The IUPAC name of butane;N-methylmethanamine;hydrochloride (CID 174856882) is butane;N-methylmethanamine;hydrochloride.
What is the SMILES notation for butane;N-methylmethanamine;hydrochloride?
The canonical SMILES for butane;N-methylmethanamine;hydrochloride is CCCC.CNC.Cl.
What is the InChIKey of butane;N-methylmethanamine;hydrochloride?
The InChIKey is IPCVBFRZCWFCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2H7N.ClH/c1-3-4-2;1-3-2;/h3-4H2,1-2H3;3H,1-2H3;1H.
What are the key properties of butane;N-methylmethanamine;hydrochloride?
butane;N-methylmethanamine;hydrochloride has a molecular weight of 139.67 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-methylmethanamine;hydrochloride is sourced from PubChem (CID 174856882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).