2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine

C12H22N4O — CID 106413713

IUPAC2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCc1nc(CCNC2CCCCC2CN)no1
InChIInChI=1S/C12H22N4O/c1-9-15-12(16-17-9)6-7-14-11-5-3-2-4-10(11)8-13/h10-11,14H,2-8,13H2,1H3
InChIKeyLPGLTJDPQYAVOL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.03
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine

2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 106413713) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID106413713
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCc1nc(CCNC2CCCCC2CN)no1
InChIInChI=1S/C12H22N4O/c1-9-15-12(16-17-9)6-7-14-11-5-3-2-4-10(11)8-13/h10-11,14H,2-8,13H2,1H3
InChIKeyLPGLTJDPQYAVOL-UHFFFAOYSA-N
XLogP1.03
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 106413869
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931523
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103748222
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 106413636
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 103931536
2,6-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931580
4-tert-butyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103698883
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127
2-(aminomethyl)-N-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 79763759
4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 113243071
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103698869

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine (CID 106413713) is 2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine is Cc1nc(CCNC2CCCCC2CN)no1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is LPGLTJDPQYAVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-15-12(16-17-9)6-7-14-11-5-3-2-4-10(11)8-13/h10-11,14H,2-8,13H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine?
2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106413713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).