N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride

C14H27ClN4O — CID 120752463

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride
SMILESCC(C)(C)C1CCCCC1NCc1noc(CN)n1.Cl
InChIInChI=1S/C14H26N4O.ClH/c1-14(2,3)10-6-4-5-7-11(10)16-9-12-17-13(8-15)19-18-12;/h10-11,16H,4-9,15H2,1-3H3;1H
InChIKeyZVWJMWCYYOVBHP-UHFFFAOYSA-N
MW302.85 g/mol
LogP2.64
Rot. Bonds4

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride (PubChem CID 120752463) has the molecular formula C14H27ClN4O and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride
PubChem CID120752463
Molecular FormulaC14H27ClN4O
Molecular Weight302.85 g/mol
Exact Mass302.19
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride
SMILESCC(C)(C)C1CCCCC1NCc1noc(CN)n1.Cl
InChIInChI=1S/C14H26N4O.ClH/c1-14(2,3)10-6-4-5-7-11(10)16-9-12-17-13(8-15)19-18-12;/h10-11,16H,4-9,15H2,1-3H3;1H
InChIKeyZVWJMWCYYOVBHP-UHFFFAOYSA-N
XLogP2.64
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride (CID 120752463) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride is CC(C)(C)C1CCCCC1NCc1noc(CN)n1.Cl.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride?
The InChIKey is ZVWJMWCYYOVBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.ClH/c1-14(2,3)10-6-4-5-7-11(10)16-9-12-17-13(8-15)19-18-12;/h10-11,16H,4-9,15H2,1-3H3;1H.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 120752463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).