N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C13H27N5O — CID 106969906

IUPACN'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNCc1nnc(N(CCN(C)C)CC(C)C)o1
InChIInChI=1S/C13H27N5O/c1-6-14-9-12-15-16-13(19-12)18(10-11(2)3)8-7-17(4)5/h11,14H,6-10H2,1-5H3
InChIKeyLRIWVVKMSFPJED-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.20
Rot. Bonds9

About N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 106969906) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID106969906
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC NameN'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNCc1nnc(N(CCN(C)C)CC(C)C)o1
InChIInChI=1S/C13H27N5O/c1-6-14-9-12-15-16-13(19-12)18(10-11(2)3)8-7-17(4)5/h11,14H,6-10H2,1-5H3
InChIKeyLRIWVVKMSFPJED-UHFFFAOYSA-N
XLogP1.20
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106970609
5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969811
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 107871949
N-butyl-5-(ethylaminomethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106966149
N,N-dimethyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
CID 106960123
2-[butyl-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970325
N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106963269
N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62282134
5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106969917
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol
CID 106959307
N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine
CID 106970272
2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970585

Frequently Asked Questions

What is the IUPAC name of N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 106969906) is N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCNCc1nnc(N(CCN(C)C)CC(C)C)o1.
What is the InChIKey of N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is LRIWVVKMSFPJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-6-14-9-12-15-16-13(19-12)18(10-11(2)3)8-7-17(4)5/h11,14H,6-10H2,1-5H3.
What are the key properties of N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 269.39 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 106969906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).