N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine

C9H19N5O — CID 62735567

IUPACN-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1CCOCC
InChIInChI=1S/C9H19N5O/c1-3-5-10-8-9-11-12-13-14(9)6-7-15-4-2/h10H,3-8H2,1-2H3
InChIKeyPFBRIDFVINUOPX-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.21
Rot. Bonds8

About N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine

N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62735567) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62735567
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC NameN-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1CCOCC
InChIInChI=1S/C9H19N5O/c1-3-5-10-8-9-11-12-13-14(9)6-7-15-4-2/h10H,3-8H2,1-2H3
InChIKeyPFBRIDFVINUOPX-UHFFFAOYSA-N
XLogP0.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62735567) is N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1CCOCC.
What is the InChIKey of N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is PFBRIDFVINUOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-3-5-10-8-9-11-12-13-14(9)6-7-15-4-2/h10H,3-8H2,1-2H3.
What are the key properties of N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62735567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).