N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine

C11H23N5O — CID 103086393

IUPACN-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1C(COC)C(C)C
InChIInChI=1S/C11H23N5O/c1-6-12-9(4)11-13-14-15-16(11)10(7-17-5)8(2)3/h8-10,12H,6-7H2,1-5H3
InChIKeyQCTDIQQABSMKLQ-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.19
Rot. Bonds7

About N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine

N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine (PubChem CID 103086393) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
PubChem CID103086393
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC NameN-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1C(COC)C(C)C
InChIInChI=1S/C11H23N5O/c1-6-12-9(4)11-13-14-15-16(11)10(7-17-5)8(2)3/h8-10,12H,6-7H2,1-5H3
InChIKeyQCTDIQQABSMKLQ-UHFFFAOYSA-N
XLogP1.19
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine
CID 103085598
N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
CID 103085937
N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine
CID 103085799
1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085593
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]tetrazol-5-yl]ethanamine
CID 103087047
1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085441
N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085783
1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
5-(1-chloroethyl)-1-(1-methoxypropan-2-yl)tetrazole
CID 103084380
N-ethyl-1-[1-(2-ethylbutyl)tetrazol-5-yl]ethanamine
CID 103087026
1-[1-[1-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085373
1-[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085805

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine (CID 103086393) is N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine is CCNC(C)c1nnnn1C(COC)C(C)C.
What is the InChIKey of N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine?
The InChIKey is QCTDIQQABSMKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-6-12-9(4)11-13-14-15-16(11)10(7-17-5)8(2)3/h8-10,12H,6-7H2,1-5H3.
What are the key properties of N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine?
N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).