2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride

C17H33ClNO- — CID 53346662

IUPAC2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride
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/p-1
InChIKeyIBQPCUMHTBCPKE-UHFFFAOYSA-M
MW302.91 g/mol
LogP1.10
Rot. Bonds6

About 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride

2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride (PubChem CID 53346662) has the molecular formula C17H33ClNO- and a molecular weight of 302.91 g/mol. Its IUPAC name is 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride.

Molecular Properties

Compound Name2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride
PubChem CID53346662
Molecular FormulaC17H33ClNO-
Molecular Weight302.91 g/mol
Exact Mass302.23
IUPAC Name2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride
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/p-1
InChIKeyIBQPCUMHTBCPKE-UHFFFAOYSA-M
XLogP1.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.91
LogP ≤ 51.10
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 chloride?
The IUPAC name of 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride (CID 53346662) is 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride.
What is the SMILES notation for 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride?
The canonical SMILES for 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride is CN(C)CCOC(C1CCCCC1)C1CCCCC1.[Cl-].
What is the InChIKey of 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride?
The InChIKey is IBQPCUMHTBCPKE-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride?
2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride has a molecular weight of 302.91 g/mol, XLogP of 1.10, 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 chloride is sourced from PubChem (CID 53346662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).