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

C14H26N4O2 — CID 106963292

IUPACN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(N(C)CCOCC2CC2)o1
InChIInChI=1S/C14H26N4O2/c1-11(2)8-15-9-13-16-17-14(20-13)18(3)6-7-19-10-12-4-5-12/h11-12,15H,4-10H2,1-3H3
InChIKeyDQKKGJMGASGBKP-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.68
Rot. Bonds10

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

N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106963292) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106963292
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(N(C)CCOCC2CC2)o1
InChIInChI=1S/C14H26N4O2/c1-11(2)8-15-9-13-16-17-14(20-13)18(3)6-7-19-10-12-4-5-12/h11-12,15H,4-10H2,1-3H3
InChIKeyDQKKGJMGASGBKP-UHFFFAOYSA-N
XLogP1.68
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.68
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

N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961397
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
2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
CID 103437190
N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine
CID 106970272
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961914
1-[[methyl-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]cyclopentan-1-ol
CID 106965606
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970989
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969942
N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971305
N,N-dimethyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
CID 106960123
N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969218

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106963292) is N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is CC(C)CNCc1nnc(N(C)CCOCC2CC2)o1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DQKKGJMGASGBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(2)8-15-9-13-16-17-14(20-13)18(3)6-7-19-10-12-4-5-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 282.39 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).