2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride

C17H34ClNO — CID 11948836

IUPAC2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(C1CCCCC1)C1CCCCC1.Cl
InChIInChI=1S/C17H33NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h15-17H,3-14H2,1-2H3;1H
InChIKeyIBQPCUMHTBCPKE-UHFFFAOYSA-N
MW303.92 g/mol
LogP4.52
Rot. Bonds6

About 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride

2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride (PubChem CID 11948836) has the molecular formula C17H34ClNO and a molecular weight of 303.92 g/mol. Its IUPAC name is 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride
PubChem CID11948836
Molecular FormulaC17H34ClNO
Molecular Weight303.92 g/mol
Exact Mass303.23
IUPAC Name2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(C1CCCCC1)C1CCCCC1.Cl
InChIInChI=1S/C17H33NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h15-17H,3-14H2,1-2H3;1H
InChIKeyIBQPCUMHTBCPKE-UHFFFAOYSA-N
XLogP4.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.92
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride (CID 11948836) is 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride is CN(C)CCOC(C1CCCCC1)C1CCCCC1.Cl.
What is the InChIKey of 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride?
The InChIKey is IBQPCUMHTBCPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h15-17H,3-14H2,1-2H3;1H.
What are the key properties of 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride?
2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride has a molecular weight of 303.92 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 11948836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).