N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide

C17H38N6O2 — CID 142506573

IUPACN,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide
SMILESCC.CCN(CC)CCC(C)C.CNC(=O)COCCc1nn[nH]n1
InChIInChI=1S/C9H21N.C6H11N5O2.C2H6/c1-5-10(6-2)8-7-9(3)4;1-7-6(12)4-13-3-2-5-8-10-11-9-5;1-2/h9H,5-8H2,1-4H3;2-4H2,1H3,(H,7,12)(H,8,9,10,11);1-2H3
InChIKeyQJULNVMJTXDIJL-UHFFFAOYSA-N
MW358.53 g/mol
LogP1.91
Rot. Bonds10

About N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide

N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide (PubChem CID 142506573) has the molecular formula C17H38N6O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide
PubChem CID142506573
Molecular FormulaC17H38N6O2
Molecular Weight358.53 g/mol
Exact Mass358.31
IUPAC NameN,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide
SMILESCC.CCN(CC)CCC(C)C.CNC(=O)COCCc1nn[nH]n1
InChIInChI=1S/C9H21N.C6H11N5O2.C2H6/c1-5-10(6-2)8-7-9(3)4;1-7-6(12)4-13-3-2-5-8-10-11-9-5;1-2/h9H,5-8H2,1-4H3;2-4H2,1H3,(H,7,12)(H,8,9,10,11);1-2H3
InChIKeyQJULNVMJTXDIJL-UHFFFAOYSA-N
XLogP1.91
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole
CID 113427164
N-methyl-2-(2-methylpropoxy)acetamide
CID 145404647
5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]-2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]pentanoic acid
CID 70823050
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63028616
N-(2-aminoethyl)-2-(4-methylpentoxy)acetamide
CID 61206763
methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
CID 63029585
2-[2-(2-hydroxyethoxy)ethoxy]-N-methylacetamide
CID 142368848
2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide
CID 154450387
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
N-methyl-2-[2-(2-oxopropoxy)ethoxy]acetamide
CID 59773137

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide?
The IUPAC name of N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide (CID 142506573) is N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide.
What is the SMILES notation for N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide?
The canonical SMILES for N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide is CC.CCN(CC)CCC(C)C.CNC(=O)COCCc1nn[nH]n1.
What is the InChIKey of N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide?
The InChIKey is QJULNVMJTXDIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C6H11N5O2.C2H6/c1-5-10(6-2)8-7-9(3)4;1-7-6(12)4-13-3-2-5-8-10-11-9-5;1-2/h9H,5-8H2,1-4H3;2-4H2,1H3,(H,7,12)(H,8,9,10,11);1-2H3.
What are the key properties of N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide?
N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide has a molecular weight of 358.53 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide is sourced from PubChem (CID 142506573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).