N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine

C15H29N5O — CID 131892356

IUPACN,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine
SMILESCCCc1nc(N2CCC(N(C)CCN(C)C)CC2)no1
InChIInChI=1S/C15H29N5O/c1-5-6-14-16-15(17-21-14)20-9-7-13(8-10-20)19(4)12-11-18(2)3/h13H,5-12H2,1-4H3
InChIKeyAZVHYUPVUMFANJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.48
Rot. Bonds7

About N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine (PubChem CID 131892356) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine
PubChem CID131892356
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine
SMILESCCCc1nc(N2CCC(N(C)CCN(C)C)CC2)no1
InChIInChI=1S/C15H29N5O/c1-5-6-14-16-15(17-21-14)20-9-7-13(8-10-20)19(4)12-11-18(2)3/h13H,5-12H2,1-4H3
InChIKeyAZVHYUPVUMFANJ-UHFFFAOYSA-N
XLogP1.48
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine (CID 131892356) is N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine is CCCc1nc(N2CCC(N(C)CCN(C)C)CC2)no1.
What is the InChIKey of N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine?
The InChIKey is AZVHYUPVUMFANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-5-6-14-16-15(17-21-14)20-9-7-13(8-10-20)19(4)12-11-18(2)3/h13H,5-12H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine has a molecular weight of 295.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 131892356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).