N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine

C13H24N4O2 — CID 106963293

IUPACN-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(N(C)CCOCC2CC2)o1
InChIInChI=1S/C13H24N4O2/c1-4-14-10(2)12-15-16-13(19-12)17(3)7-8-18-9-11-5-6-11/h10-11,14H,4-9H2,1-3H3
InChIKeyQKXXVDJRMDASDE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.60
Rot. Bonds9

About N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine

N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106963293) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106963293
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(N(C)CCOCC2CC2)o1
InChIInChI=1S/C13H24N4O2/c1-4-14-10(2)12-15-16-13(19-12)17(3)7-8-18-9-11-5-6-11/h10-11,14H,4-9H2,1-3H3
InChIKeyQKXXVDJRMDASDE-UHFFFAOYSA-N
XLogP1.60
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.60
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
2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
CID 103437190
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963292
N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 106970894
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959782
5-[1-(ethylamino)ethyl]-N-[(4-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960955
N-cycloheptyl-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969352
5-[1-(ethylamino)ethyl]-N-(4-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106970199
N-cyclopropyl-2-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106971142
5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106956840
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961805

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106963293) is N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(N(C)CCOCC2CC2)o1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is QKXXVDJRMDASDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-14-10(2)12-15-16-13(19-12)17(3)7-8-18-9-11-5-6-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine?
N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 268.36 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).