1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine

C12H23N5O — CID 107051124

IUPAC1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCOC1(C(N)Cc2nnn(C)n2)CCCCC1
InChIInChI=1S/C12H23N5O/c1-3-18-12(7-5-4-6-8-12)10(13)9-11-14-16-17(2)15-11/h10H,3-9,13H2,1-2H3
InChIKeyYERNSEILDNTKDZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.82
Rot. Bonds5

About 1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine

1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107051124) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107051124
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCOC1(C(N)Cc2nnn(C)n2)CCCCC1
InChIInChI=1S/C12H23N5O/c1-3-18-12(7-5-4-6-8-12)10(13)9-11-14-16-17(2)15-11/h10H,3-9,13H2,1-2H3
InChIKeyYERNSEILDNTKDZ-UHFFFAOYSA-N
XLogP0.82
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050310
1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116770578
1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051193
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051205
N-ethyl-1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051120
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051149
(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
CID 104932321
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107065522
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761546
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761589
1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050132
1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 116770574

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107051124) is 1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine is CCOC1(C(N)Cc2nnn(C)n2)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is YERNSEILDNTKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-18-12(7-5-4-6-8-12)10(13)9-11-14-16-17(2)15-11/h10H,3-9,13H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine?
1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 253.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107051124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).