N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine

C13H24N4O2 — CID 106961211

IUPACN-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(C)CC2CCCC2)o1
InChIInChI=1S/C13H24N4O2/c1-17(10-11-5-3-4-6-11)13-16-15-12(19-13)9-14-7-8-18-2/h11,14H,3-10H2,1-2H3
InChIKeyMTSAKZHTPGOKCE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.43
Rot. Bonds8

About N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine

N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106961211) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106961211
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(C)CC2CCCC2)o1
InChIInChI=1S/C13H24N4O2/c1-17(10-11-5-3-4-6-11)13-16-15-12(19-13)9-14-7-8-18-2/h11,14H,3-10H2,1-2H3
InChIKeyMTSAKZHTPGOKCE-UHFFFAOYSA-N
XLogP1.43
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.43
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-(cyclobutylmethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960675
N-(cyclohexylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959848
N-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968636
5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 106967784
5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol
CID 107207682
5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957705
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970430
N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63630737
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961397
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970695
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964246
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 63655525

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106961211) is N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(N(C)CC2CCCC2)o1.
What is the InChIKey of N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is MTSAKZHTPGOKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-17(10-11-5-3-4-6-11)13-16-15-12(19-13)9-14-7-8-18-2/h11,14H,3-10H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 268.36 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).