N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine

C13H22N4O — CID 106393192

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESc1nc(CNC2CCCCC2C2CCCN2)no1
InChIInChI=1S/C13H22N4O/c1-2-5-12(15-8-13-16-9-18-17-13)10(4-1)11-6-3-7-14-11/h9-12,14-15H,1-8H2
InChIKeyNSUZMMWLHCRBQB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.47
Rot. Bonds4

About N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine

N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine (PubChem CID 106393192) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
PubChem CID106393192
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESc1nc(CNC2CCCCC2C2CCCN2)no1
InChIInChI=1S/C13H22N4O/c1-2-5-12(15-8-13-16-9-18-17-13)10(4-1)11-6-3-7-14-11/h9-12,14-15H,1-8H2
InChIKeyNSUZMMWLHCRBQB-UHFFFAOYSA-N
XLogP1.47
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549657
2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopentan-1-amine
CID 106392392
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545774
N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543889
N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106414949
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 106413636
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79545849
N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 106895203
2-piperidin-2-yl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 79545513
2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile
CID 106398912
N-benzyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545054
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543771

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine (CID 106393192) is N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine is c1nc(CNC2CCCCC2C2CCCN2)no1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The InChIKey is NSUZMMWLHCRBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-5-12(15-8-13-16-9-18-17-13)10(4-1)11-6-3-7-14-11/h9-12,14-15H,1-8H2.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine has a molecular weight of 250.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106393192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).