1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

C15H29N5O — CID 107051205

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCOC1(C(Cc2nnn(C)n2)NC)CCC(C)(C)CC1
InChIInChI=1S/C15H29N5O/c1-6-21-15(9-7-14(2,3)8-10-15)12(16-4)11-13-17-19-20(5)18-13/h12,16H,6-11H2,1-5H3
InChIKeyDKSNDPBZZAKDLW-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.72
Rot. Bonds6

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107051205) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107051205
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCOC1(C(Cc2nnn(C)n2)NC)CCC(C)(C)CC1
InChIInChI=1S/C15H29N5O/c1-6-21-15(9-7-14(2,3)8-10-15)12(16-4)11-13-17-19-20(5)18-13/h12,16H,6-11H2,1-5H3
InChIKeyDKSNDPBZZAKDLW-UHFFFAOYSA-N
XLogP1.72
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051193
1-(4-ethoxyoxan-4-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051149
1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051124
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047535
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116768734
N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 107065238
N-ethyl-1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051120
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765587
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
CID 114857241
2-cyclohexyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116768788
1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 116761834
N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
CID 107053296

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107051205) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is CCOC1(C(Cc2nnn(C)n2)NC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is DKSNDPBZZAKDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-6-21-15(9-7-14(2,3)8-10-15)12(16-4)11-13-17-19-20(5)18-13/h12,16H,6-11H2,1-5H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 295.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107051205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).