N-methylcyclohexanamine;dihydrochloride

C7H17Cl2N — CID 140514199

IUPACN-methylcyclohexanamine;dihydrochloride
SMILESCNC1CCCCC1.Cl.Cl
InChIInChI=1S/C7H15N.2ClH/c1-8-7-5-3-2-4-6-7;;/h7-8H,2-6H2,1H3;2*1H
InChIKeyIELQJRSMSGOLKW-UHFFFAOYSA-N
MW186.13 g/mol
LogP2.38
Rot. Bonds1

About N-methylcyclohexanamine;dihydrochloride

N-methylcyclohexanamine;dihydrochloride (PubChem CID 140514199) has the molecular formula C7H17Cl2N and a molecular weight of 186.13 g/mol. Its IUPAC name is N-methylcyclohexanamine;dihydrochloride.

Molecular Properties

Compound NameN-methylcyclohexanamine;dihydrochloride
PubChem CID140514199
Molecular FormulaC7H17Cl2N
Molecular Weight186.13 g/mol
Exact Mass185.07
IUPAC NameN-methylcyclohexanamine;dihydrochloride
SMILESCNC1CCCCC1.Cl.Cl
InChIInChI=1S/C7H15N.2ClH/c1-8-7-5-3-2-4-6-7;;/h7-8H,2-6H2,1H3;2*1H
InChIKeyIELQJRSMSGOLKW-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methylcyclohexanamine;dihydrochloride?
The IUPAC name of N-methylcyclohexanamine;dihydrochloride (CID 140514199) is N-methylcyclohexanamine;dihydrochloride.
What is the SMILES notation for N-methylcyclohexanamine;dihydrochloride?
The canonical SMILES for N-methylcyclohexanamine;dihydrochloride is CNC1CCCCC1.Cl.Cl.
What is the InChIKey of N-methylcyclohexanamine;dihydrochloride?
The InChIKey is IELQJRSMSGOLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.2ClH/c1-8-7-5-3-2-4-6-7;;/h7-8H,2-6H2,1H3;2*1H.
What are the key properties of N-methylcyclohexanamine;dihydrochloride?
N-methylcyclohexanamine;dihydrochloride has a molecular weight of 186.13 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohexanamine;dihydrochloride is sourced from PubChem (CID 140514199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).