5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine

C11H20N4O — CID 106959823

IUPAC5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCN(c1nnc(CN)o1)C1CC1
InChIInChI=1S/C11H20N4O/c1-8(2)5-6-15(9-3-4-9)11-14-13-10(7-12)16-11/h8-9H,3-7,12H2,1-2H3
InChIKeyBEDJABSUQPARSG-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.54
Rot. Bonds6

About 5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106959823) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106959823
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCN(c1nnc(CN)o1)C1CC1
InChIInChI=1S/C11H20N4O/c1-8(2)5-6-15(9-3-4-9)11-14-13-10(7-12)16-11/h8-9H,3-7,12H2,1-2H3
InChIKeyBEDJABSUQPARSG-UHFFFAOYSA-N
XLogP1.54
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.54
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
N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106963269
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970430
4-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78935157
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3,4-oxadiazol-2-amine
CID 106968720
4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105389659
2-[cyclopropyl(3-methylbutyl)amino]pyrimidine-4-carbothioamide
CID 107547067
2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine
CID 83265339
N-cyclohexyl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968010
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
CID 106957161
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 107871949
3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
CID 102986844

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine (CID 106959823) is 5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine is CC(C)CCN(c1nnc(CN)o1)C1CC1.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BEDJABSUQPARSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)5-6-15(9-3-4-9)11-14-13-10(7-12)16-11/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 224.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).