N-methyl-1-(oxan-4-yl)methanamine;hydrochloride

C7H16ClNO — CID 22737007

IUPACN-methyl-1-(oxan-4-yl)methanamine;hydrochloride
SMILESCNCC1CCOCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-8-6-7-2-4-9-5-3-7;/h7-8H,2-6H2,1H3;1H
InChIKeyIPGJHNSSNPFECL-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.05
Rot. Bonds2

About N-methyl-1-(oxan-4-yl)methanamine;hydrochloride

N-methyl-1-(oxan-4-yl)methanamine;hydrochloride (PubChem CID 22737007) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)methanamine;hydrochloride
PubChem CID22737007
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC NameN-methyl-1-(oxan-4-yl)methanamine;hydrochloride
SMILESCNCC1CCOCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-8-6-7-2-4-9-5-3-7;/h7-8H,2-6H2,1H3;1H
InChIKeyIPGJHNSSNPFECL-UHFFFAOYSA-N
XLogP1.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(oxan-4-yl)methanamine;hydrochloride (CID 22737007) is N-methyl-1-(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(oxan-4-yl)methanamine;hydrochloride is CNCC1CCOCC1.Cl.
What is the InChIKey of N-methyl-1-(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is IPGJHNSSNPFECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-8-6-7-2-4-9-5-3-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of N-methyl-1-(oxan-4-yl)methanamine;hydrochloride?
N-methyl-1-(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 22737007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).