2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine

C14H21N5O — CID 114941953

IUPAC2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
SMILESCCOC(C)(C)CNCc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5O/c1-4-20-14(2,3)11-15-10-13-16-17-18-19(13)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
InChIKeyKTPARWATIWQFBM-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.57
Rot. Bonds7

About 2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine

2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine (PubChem CID 114941953) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
PubChem CID114941953
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
SMILESCCOC(C)(C)CNCc1nnnn1-c1ccccc1
InChIInChI=1S/C14H21N5O/c1-4-20-14(2,3)11-15-10-13-16-17-18-19(13)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
InChIKeyKTPARWATIWQFBM-UHFFFAOYSA-N
XLogP1.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
3-butoxy-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 115573451
2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 79811196
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 62627608
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60671794

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine (CID 114941953) is 2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine is CCOC(C)(C)CNCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine?
The InChIKey is KTPARWATIWQFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-20-14(2,3)11-15-10-13-16-17-18-19(13)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine?
2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 114941953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).