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

C13H24N4O2 — CID 106970430

IUPACN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(CC(C)C)C2CC2)o1
InChIInChI=1S/C13H24N4O2/c1-10(2)9-17(11-4-5-11)13-16-15-12(19-13)8-14-6-7-18-3/h10-11,14H,4-9H2,1-3H3
InChIKeyVAZLQWYCJGIGRP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.43
Rot. Bonds9

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

N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106970430) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106970430
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(CC(C)C)C2CC2)o1
InChIInChI=1S/C13H24N4O2/c1-10(2)9-17(11-4-5-11)13-16-15-12(19-13)8-14-6-7-18-3/h10-11,14H,4-9H2,1-3H3
InChIKeyVAZLQWYCJGIGRP-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968636
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106970786
5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 106967784
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961211
N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106963269
2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol
CID 106960024
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964246
2-[2-methoxyethyl-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106964675
N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961383
5-[(2-methoxyethylamino)methyl]-N-[(2-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 107421557
N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963261
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966919

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine (CID 106970430) is N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(N(CC(C)C)C2CC2)o1.
What is the InChIKey of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VAZLQWYCJGIGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(2)9-17(11-4-5-11)13-16-15-12(19-13)8-14-6-7-18-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 268.36 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).