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

C15H26N4O — CID 106413636

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCc1nc(CCNC2CCCCC2C2CCCN2)no1
InChIInChI=1S/C15H26N4O/c1-11-18-15(19-20-11)8-10-17-13-6-3-2-5-12(13)14-7-4-9-16-14/h12-14,16-17H,2-10H2,1H3
InChIKeyMJCSVNVNIBFYAG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.82
Rot. Bonds5

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine (PubChem CID 106413636) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
PubChem CID106413636
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCc1nc(CCNC2CCCCC2C2CCCN2)no1
InChIInChI=1S/C15H26N4O/c1-11-18-15(19-20-11)8-10-17-13-6-3-2-5-12(13)14-7-4-9-16-14/h12-14,16-17H,2-10H2,1H3
InChIKeyMJCSVNVNIBFYAG-UHFFFAOYSA-N
XLogP1.82
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106413713
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549657
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 106413869
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 103931536
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545774
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 103004984
N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 106393192
N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79537931
N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549363

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine (CID 106413636) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine is Cc1nc(CCNC2CCCCC2C2CCCN2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The InChIKey is MJCSVNVNIBFYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-18-15(19-20-11)8-10-17-13-6-3-2-5-12(13)14-7-4-9-16-14/h12-14,16-17H,2-10H2,1H3.
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106413636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).