N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine

C8H17N5O — CID 104766003

IUPACN-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCOC(C)C
InChIInChI=1S/C8H17N5O/c1-7(2)14-5-4-13-8(6-9-3)10-11-12-13/h7,9H,4-6H2,1-3H3
InChIKeyDHUWMLVVIRCIHB-UHFFFAOYSA-N
MW199.26 g/mol
LogP-0.18
Rot. Bonds6

About N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine

N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine (PubChem CID 104766003) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine
PubChem CID104766003
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC NameN-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCOC(C)C
InChIInChI=1S/C8H17N5O/c1-7(2)14-5-4-13-8(6-9-3)10-11-12-13/h7,9H,4-6H2,1-3H3
InChIKeyDHUWMLVVIRCIHB-UHFFFAOYSA-N
XLogP-0.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine (CID 104766003) is N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine is CNCc1nnnn1CCOC(C)C.
What is the InChIKey of N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine?
The InChIKey is DHUWMLVVIRCIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-7(2)14-5-4-13-8(6-9-3)10-11-12-13/h7,9H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine?
N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine has a molecular weight of 199.26 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 104766003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).