1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

C15H29N5 — CID 107065022

IUPAC1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCCCC1CCC(C(Cc2nnn(C)n2)NC)CC1
InChIInChI=1S/C15H29N5/c1-4-5-6-12-7-9-13(10-8-12)14(16-2)11-15-17-19-20(3)18-15/h12-14,16H,4-11H2,1-3H3
InChIKeyKTHSGUWMVHJPGR-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.34
Rot. Bonds7

About 1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107065022) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107065022
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCCCC1CCC(C(Cc2nnn(C)n2)NC)CC1
InChIInChI=1S/C15H29N5/c1-4-5-6-12-7-9-13(10-8-12)14(16-2)11-15-17-19-20(3)18-15/h12-14,16H,4-11H2,1-3H3
InChIKeyKTHSGUWMVHJPGR-UHFFFAOYSA-N
XLogP2.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048630
1-(4-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047858
2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine
CID 115787204
1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 115834392
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050394
[4-cyclopentyl-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066854
[1-(4-butylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315698
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050823
[1-(3-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066163
1-cyclopentyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107044752
1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107065022) is 1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is CCCCC1CCC(C(Cc2nnn(C)n2)NC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is KTHSGUWMVHJPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-4-5-6-12-7-9-13(10-8-12)14(16-2)11-15-17-19-20(3)18-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107065022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).