1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride

C15H28ClN5O2 — CID 120752471

IUPAC1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1(NCc2noc(CN)n2)CCCCC1.Cl
InChIInChI=1S/C15H27N5O2.ClH/c1-3-20(4-2)14(21)15(8-6-5-7-9-15)17-11-12-18-13(10-16)22-19-12;/h17H,3-11,16H2,1-2H3;1H
InChIKeySQICBPQPCURDNI-UHFFFAOYSA-N
MW345.88 g/mol
LogP1.61
Rot. Bonds7

About 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride

1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 120752471) has the molecular formula C15H28ClN5O2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
PubChem CID120752471
Molecular FormulaC15H28ClN5O2
Molecular Weight345.88 g/mol
Exact Mass345.19
IUPAC Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1(NCc2noc(CN)n2)CCCCC1.Cl
InChIInChI=1S/C15H27N5O2.ClH/c1-3-20(4-2)14(21)15(8-6-5-7-9-15)17-11-12-18-13(10-16)22-19-12;/h17H,3-11,16H2,1-2H3;1H
InChIKeySQICBPQPCURDNI-UHFFFAOYSA-N
XLogP1.61
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride (CID 120752471) is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride is CCN(CC)C(=O)C1(NCc2noc(CN)n2)CCCCC1.Cl.
What is the InChIKey of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is SQICBPQPCURDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2.ClH/c1-3-20(4-2)14(21)15(8-6-5-7-9-15)17-11-12-18-13(10-16)22-19-12;/h17H,3-11,16H2,1-2H3;1H.
What are the key properties of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride?
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 345.88 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120752471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).