1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

C12H23N5O2 — CID 103085603

IUPAC1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1nnnn1C1CCCC1OC
InChIInChI=1S/C12H23N5O2/c1-9(13-7-8-18-2)12-14-15-16-17(12)10-5-4-6-11(10)19-3/h9-11,13H,4-8H2,1-3H3
InChIKeyINKFUJMKAIVXLX-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.71
Rot. Bonds7

About 1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 103085603) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID103085603
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1nnnn1C1CCCC1OC
InChIInChI=1S/C12H23N5O2/c1-9(13-7-8-18-2)12-14-15-16-17(12)10-5-4-6-11(10)19-3/h9-11,13H,4-8H2,1-3H3
InChIKeyINKFUJMKAIVXLX-UHFFFAOYSA-N
XLogP0.71
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]ethanamine
CID 103086509
N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine
CID 103087012
1-[1-(1,1-dioxothian-3-yl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103086214
1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
N-[1-[1-(2-propan-2-ylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086723
N-(2-methoxyethyl)-1-[1-[2-(3-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
CID 103086270
1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085593
N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085850
N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086859
N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine
CID 103086514
1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085480
5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine
CID 62087555

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine (CID 103085603) is 1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine is COCCNC(C)c1nnnn1C1CCCC1OC.
What is the InChIKey of 1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is INKFUJMKAIVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-9(13-7-8-18-2)12-14-15-16-17(12)10-5-4-6-11(10)19-3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine?
1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 269.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 103085603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).