N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine

C11H21N5O — CID 103086563

IUPACN-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1CC1(C)CCCO1
InChIInChI=1S/C11H21N5O/c1-4-12-9(2)10-13-14-15-16(10)8-11(3)6-5-7-17-11/h9,12H,4-8H2,1-3H3
InChIKeyBJNTZXQDQYCHGS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.91
Rot. Bonds5

About N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine

N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine (PubChem CID 103086563) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine
PubChem CID103086563
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1CC1(C)CCCO1
InChIInChI=1S/C11H21N5O/c1-4-12-9(2)10-13-14-15-16(10)8-11(3)6-5-7-17-11/h9,12H,4-8H2,1-3H3
InChIKeyBJNTZXQDQYCHGS-UHFFFAOYSA-N
XLogP0.91
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine (CID 103086563) is N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine is CCNC(C)c1nnnn1CC1(C)CCCO1.
What is the InChIKey of N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine?
The InChIKey is BJNTZXQDQYCHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-12-9(2)10-13-14-15-16(10)8-11(3)6-5-7-17-11/h9,12H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine?
N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(2-methyloxolan-2-yl)methyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).