4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride

C14H27ClN2O2 — CID 120916890

IUPAC4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride
SMILESCN(C(=O)C1(CN)CCOCC1)C1CCCCC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-16(12-5-3-2-4-6-12)13(17)14(11-15)7-9-18-10-8-14;/h12H,2-11,15H2,1H3;1H
InChIKeyTWRMCVAZVPIHQR-UHFFFAOYSA-N
MW290.83 g/mol
LogP1.95
Rot. Bonds3

About 4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride (PubChem CID 120916890) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.83 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride
PubChem CID120916890
Molecular FormulaC14H27ClN2O2
Molecular Weight290.83 g/mol
Exact Mass290.18
IUPAC Name4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride
SMILESCN(C(=O)C1(CN)CCOCC1)C1CCCCC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-16(12-5-3-2-4-6-12)13(17)14(11-15)7-9-18-10-8-14;/h12H,2-11,15H2,1H3;1H
InChIKeyTWRMCVAZVPIHQR-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride (CID 120916890) is 4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride is CN(C(=O)C1(CN)CCOCC1)C1CCCCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride?
The InChIKey is TWRMCVAZVPIHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-16(12-5-3-2-4-6-12)13(17)14(11-15)7-9-18-10-8-14;/h12H,2-11,15H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride has a molecular weight of 290.83 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclohexyl-N-methyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120916890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).