1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

C14H27N5O — CID 107051193

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCOC1(C(Cc2nnn(C)n2)NC)CCCC(C)C1
InChIInChI=1S/C14H27N5O/c1-5-20-14(8-6-7-11(2)10-14)12(15-3)9-13-16-18-19(4)17-13/h11-12,15H,5-10H2,1-4H3
InChIKeyDMVMLJVAFFQKJP-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.33
Rot. Bonds6

About 1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107051193) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107051193
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCOC1(C(Cc2nnn(C)n2)NC)CCCC(C)C1
InChIInChI=1S/C14H27N5O/c1-5-20-14(8-6-7-11(2)10-14)12(15-3)9-13-16-18-19(4)17-13/h11-12,15H,5-10H2,1-4H3
InChIKeyDMVMLJVAFFQKJP-UHFFFAOYSA-N
XLogP1.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051205
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-iodophenyl)-N-methylethanamine
CID 116768271
1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051124
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051149
1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine
CID 116768244
1-(1-ethoxy-3-methylcyclohexyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116768268
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
N-ethyl-1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051120
3-methyl-1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 107042478
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 116767770
[1-(1-ethoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103027135

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107051193) is 1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is CCOC1(C(Cc2nnn(C)n2)NC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is DMVMLJVAFFQKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-5-20-14(8-6-7-11(2)10-14)12(15-3)9-13-16-18-19(4)17-13/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107051193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).