2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine

C10H18N4O — CID 103437122

IUPAC2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1CCCCCC1Nc1nnc(N)o1
InChIInChI=1S/C10H18N4O/c1-7-5-3-2-4-6-8(7)12-10-14-13-9(11)15-10/h7-8H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyZLKMZQWNBITBPV-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.03
Rot. Bonds2

About 2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437122) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437122
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1CCCCCC1Nc1nnc(N)o1
InChIInChI=1S/C10H18N4O/c1-7-5-3-2-4-6-8(7)12-10-14-13-9(11)15-10/h7-8H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyZLKMZQWNBITBPV-UHFFFAOYSA-N
XLogP2.03
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-chloroethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine
CID 106957754
5-(methylaminomethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine
CID 106961401
5-(1-aminoethyl)-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106967919
3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 102677324
5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106959560
6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
CID 80925560
2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine
CID 130909260
5-[(cyclopropylamino)methyl]-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106967918
3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile
CID 82813370
5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide
CID 43206245
2-N-(2-methylcyclopentyl)pyrimidine-2,5-diamine
CID 63278142
6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
CID 79099687

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine (CID 103437122) is 2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine is CC1CCCCCC1Nc1nnc(N)o1.
What is the InChIKey of 2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is ZLKMZQWNBITBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-5-3-2-4-6-8(7)12-10-14-13-9(11)15-10/h7-8H,2-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 210.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylcycloheptyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).