N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine

C13H26N4O — CID 113377670

IUPACN,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCNCc1coc(N(CCN(C)C)CC(C)C)n1
InChIInChI=1S/C13H26N4O/c1-11(2)9-17(7-6-16(4)5)13-15-12(8-14-3)10-18-13/h10-11,14H,6-9H2,1-5H3
InChIKeyADCVQTBNNIMSLC-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.42
Rot. Bonds8

About N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine

N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 113377670) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID113377670
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCNCc1coc(N(CCN(C)C)CC(C)C)n1
InChIInChI=1S/C13H26N4O/c1-11(2)9-17(7-6-16(4)5)13-15-12(8-14-3)10-18-13/h10-11,14H,6-9H2,1-5H3
InChIKeyADCVQTBNNIMSLC-UHFFFAOYSA-N
XLogP1.42
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

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Related Compounds

Isamoxole
CID 42118
2-Methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-(propan-2-yl)propanamide
CID 12556893
N-(Butan-2-yl)-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)propanamide
CID 12556895
2-Methyl-N-(4-methyl-1,3-oxazol-2-yl)-N-(prop-2-en-1-yl)propanamide
CID 12556903
2-Oxazolamine, N-butyl-4-methyl-
CID 12295226
N,N-Diethyl-4-methyl-1,3-oxazol-2-amine
CID 12352974
N-methyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazol-2-amine
CID 104117037
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazol-2-amine
CID 104117038
N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazol-2-amine
CID 104117039
4-[(tert-butylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazol-2-amine
CID 104117040
4-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazol-2-amine
CID 104117041
4-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-oxazol-2-amine
CID 104117042

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine (CID 113377670) is N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine is CNCc1coc(N(CCN(C)C)CC(C)C)n1.
What is the InChIKey of N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is ADCVQTBNNIMSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(2)9-17(7-6-16(4)5)13-15-12(8-14-3)10-18-13/h10-11,14H,6-9H2,1-5H3.
What are the key properties of N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine?
N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 113377670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).