N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C14H29N5O — CID 120752683

IUPACN'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1noc(CN)n1)CC(C)C
InChIInChI=1S/C14H29N5O/c1-5-18(6-2)7-8-19(10-12(3)4)11-13-16-14(9-15)20-17-13/h12H,5-11,15H2,1-4H3
InChIKeyAQGZRZCHQDGCPA-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.33
Rot. Bonds10

About N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 120752683) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID120752683
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC NameN'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1noc(CN)n1)CC(C)C
InChIInChI=1S/C14H29N5O/c1-5-18(6-2)7-8-19(10-12(3)4)11-13-16-14(9-15)20-17-13/h12H,5-11,15H2,1-4H3
InChIKeyAQGZRZCHQDGCPA-UHFFFAOYSA-N
XLogP1.33
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 120752683) is N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCN(CC)CCN(Cc1noc(CN)n1)CC(C)C.
What is the InChIKey of N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is AQGZRZCHQDGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-5-18(6-2)7-8-19(10-12(3)4)11-13-16-14(9-15)20-17-13/h12H,5-11,15H2,1-4H3.
What are the key properties of N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 283.42 g/mol, XLogP of 1.33, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 120752683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).