N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

C16H30N4O — CID 106963261

IUPACN-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCN(c1nnc(CNC(C)C)o1)C1CCCC1
InChIInChI=1S/C16H30N4O/c1-12(2)9-10-20(14-7-5-6-8-14)16-19-18-15(21-16)11-17-13(3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyXADBXKORENNPIX-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.36
Rot. Bonds8

About N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106963261) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106963261
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCN(c1nnc(CNC(C)C)o1)C1CCCC1
InChIInChI=1S/C16H30N4O/c1-12(2)9-10-20(14-7-5-6-8-14)16-19-18-15(21-16)11-17-13(3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyXADBXKORENNPIX-UHFFFAOYSA-N
XLogP3.36
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106963269
N-cyclopentyl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969096
N-cyclohexyl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968010
5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106959823
N-(cyclohexylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959848
N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970227
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
CID 106971108
5-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106969105
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106968014
N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 103166366
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970430
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 107871949

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106963261) is N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is CC(C)CCN(c1nnc(CNC(C)C)o1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XADBXKORENNPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12(2)9-10-20(14-7-5-6-8-14)16-19-18-15(21-16)11-17-13(3)4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).