2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine

C9H16N4O2 — CID 103437190

IUPAC2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
SMILESCN(CCOCC1CC1)c1nnc(N)o1
InChIInChI=1S/C9H16N4O2/c1-13(9-12-11-8(10)15-9)4-5-14-6-7-2-3-7/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyYCSNCGDXCYUIHF-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.51
Rot. Bonds6

About 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine

2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437190) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437190
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
SMILESCN(CCOCC1CC1)c1nnc(N)o1
InChIInChI=1S/C9H16N4O2/c1-13(9-12-11-8(10)15-9)4-5-14-6-7-2-3-7/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyYCSNCGDXCYUIHF-UHFFFAOYSA-N
XLogP0.51
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloroethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958199
N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106963293
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963292
5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine
CID 104535382
2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine
CID 114043906
5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine
CID 103518332
2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80851949
2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80852394
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80838404
5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine
CID 113388560
2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436700
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772544

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine (CID 103437190) is 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine is CN(CCOCC1CC1)c1nnc(N)o1.
What is the InChIKey of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is YCSNCGDXCYUIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-13(9-12-11-8(10)15-9)4-5-14-6-7-2-3-7/h7H,2-6H2,1H3,(H2,10,11).
What are the key properties of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 212.25 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).