N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine

C9H14ClN3O — CID 88577414

IUPACN-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine
SMILESClNCC1CCC(c2nnco2)CC1
InChIInChI=1S/C9H14ClN3O/c10-11-5-7-1-3-8(4-2-7)9-13-12-6-14-9/h6-8,11H,1-5H2
InChIKeyCMOXVJZYHNSTRH-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.09
Rot. Bonds3

About N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine

N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine (PubChem CID 88577414) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine
PubChem CID88577414
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC NameN-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine
SMILESClNCC1CCC(c2nnco2)CC1
InChIInChI=1S/C9H14ClN3O/c10-11-5-7-1-3-8(4-2-7)9-13-12-6-14-9/h6-8,11H,1-5H2
InChIKeyCMOXVJZYHNSTRH-UHFFFAOYSA-N
XLogP2.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine (CID 88577414) is N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine is ClNCC1CCC(c2nnco2)CC1.
What is the InChIKey of N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine?
The InChIKey is CMOXVJZYHNSTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c10-11-5-7-1-3-8(4-2-7)9-13-12-6-14-9/h6-8,11H,1-5H2.
What are the key properties of N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine?
N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine has a molecular weight of 215.68 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-[4-(1,3,4-oxadiazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 88577414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).