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

C15H28N4O — CID 106959568

IUPACN-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCC1CCCCC1Nc1nnc(CNCC(C)C)o1
InChIInChI=1S/C15H28N4O/c1-4-12-7-5-6-8-13(12)17-15-19-18-14(20-15)10-16-9-11(2)3/h11-13,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyMWBGJYGQXMIFGZ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.20
Rot. Bonds7

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

N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106959568) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106959568
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCC1CCCCC1Nc1nnc(CNCC(C)C)o1
InChIInChI=1S/C15H28N4O/c1-4-12-7-5-6-8-13(12)17-15-19-18-14(20-15)10-16-9-11(2)3/h11-13,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyMWBGJYGQXMIFGZ-UHFFFAOYSA-N
XLogP3.20
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-(2-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106959560
5-[(2-methylpropylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine
CID 106964758
5-[(2-methylpropylamino)methyl]-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959364
5-[(2-methylpropylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964746
1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one
CID 106962035
5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971002
N-[(1-ethylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 114102779
N-(2-methoxycyclopentyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960449
N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181968
5-(methylaminomethyl)-N-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-amine
CID 106961401
N-[[5-(3-ethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106964439
2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106960422

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106959568) is N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is CCC1CCCCC1Nc1nnc(CNCC(C)C)o1.
What is the InChIKey of N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is MWBGJYGQXMIFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-12-7-5-6-8-13(12)17-15-19-18-14(20-15)10-16-9-11(2)3/h11-13,16H,4-10H2,1-3H3,(H,17,19).
What are the key properties of N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).