N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine

C13H24N4O — CID 114102779

IUPACN-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCC1(CNc2nnc(CNCC(C)C)o2)CC1
InChIInChI=1S/C13H24N4O/c1-4-13(5-6-13)9-15-12-17-16-11(18-12)8-14-7-10(2)3/h10,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyPWLOJXSAEBZYIT-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.42
Rot. Bonds8

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

N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 114102779) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID114102779
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCC1(CNc2nnc(CNCC(C)C)o2)CC1
InChIInChI=1S/C13H24N4O/c1-4-13(5-6-13)9-15-12-17-16-11(18-12)8-14-7-10(2)3/h10,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyPWLOJXSAEBZYIT-UHFFFAOYSA-N
XLogP2.42
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106964991
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106961110
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106967726
5-[(2-methylpropylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964746
5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959364
5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971002
N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106963591
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
N-[(2-fluorophenyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968171
N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959568
5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960518
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970408

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 114102779) is N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is CCC1(CNc2nnc(CNCC(C)C)o2)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is PWLOJXSAEBZYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-13(5-6-13)9-15-12-17-16-11(18-12)8-14-7-10(2)3/h10,14H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 114102779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).