N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine

C15H28N4O — CID 106963269

IUPACN-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(N(CCC(C)C)C2CCCC2)o1
InChIInChI=1S/C15H28N4O/c1-4-16-11-14-17-18-15(20-14)19(10-9-12(2)3)13-7-5-6-8-13/h12-13,16H,4-11H2,1-3H3
InChIKeyTYGJIDQCILGKRM-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.97
Rot. Bonds8

About N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine

N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963269) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963269
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(N(CCC(C)C)C2CCCC2)o1
InChIInChI=1S/C15H28N4O/c1-4-16-11-14-17-18-15(20-14)19(10-9-12(2)3)13-7-5-6-8-13/h12-13,16H,4-11H2,1-3H3
InChIKeyTYGJIDQCILGKRM-UHFFFAOYSA-N
XLogP2.97
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963261
5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106959823
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
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
CID 106971108
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970430
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-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 106969906
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
CID 106957161
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol
CID 106957155
N-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968636

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine (CID 106963269) is N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(N(CCC(C)C)C2CCCC2)o1.
What is the InChIKey of N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is TYGJIDQCILGKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-16-11-14-17-18-15(20-14)19(10-9-12(2)3)13-7-5-6-8-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).