N-butyl-N-methylcyclohexanamine;hydrochloride

C11H24ClN — CID 174640226

IUPACN-butyl-N-methylcyclohexanamine;hydrochloride
SMILESCCCCN(C)C1CCCCC1.Cl
InChIInChI=1S/C11H23N.ClH/c1-3-4-10-12(2)11-8-6-5-7-9-11;/h11H,3-10H2,1-2H3;1H
InChIKeyOOAORIFHTANXPS-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.47
Rot. Bonds4

About N-butyl-N-methylcyclohexanamine;hydrochloride

N-butyl-N-methylcyclohexanamine;hydrochloride (PubChem CID 174640226) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is N-butyl-N-methylcyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-methylcyclohexanamine;hydrochloride
PubChem CID174640226
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC NameN-butyl-N-methylcyclohexanamine;hydrochloride
SMILESCCCCN(C)C1CCCCC1.Cl
InChIInChI=1S/C11H23N.ClH/c1-3-4-10-12(2)11-8-6-5-7-9-11;/h11H,3-10H2,1-2H3;1H
InChIKeyOOAORIFHTANXPS-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylcyclohexanamine;hydrochloride?
The IUPAC name of N-butyl-N-methylcyclohexanamine;hydrochloride (CID 174640226) is N-butyl-N-methylcyclohexanamine;hydrochloride.
What is the SMILES notation for N-butyl-N-methylcyclohexanamine;hydrochloride?
The canonical SMILES for N-butyl-N-methylcyclohexanamine;hydrochloride is CCCCN(C)C1CCCCC1.Cl.
What is the InChIKey of N-butyl-N-methylcyclohexanamine;hydrochloride?
The InChIKey is OOAORIFHTANXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.ClH/c1-3-4-10-12(2)11-8-6-5-7-9-11;/h11H,3-10H2,1-2H3;1H.
What are the key properties of N-butyl-N-methylcyclohexanamine;hydrochloride?
N-butyl-N-methylcyclohexanamine;hydrochloride has a molecular weight of 205.77 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylcyclohexanamine;hydrochloride is sourced from PubChem (CID 174640226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).