[4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine

C17H28N2O — CID 65052570

IUPAC[4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCCc2ccccn2)CC1
InChIInChI=1S/C17H28N2O/c1-14(2)15-6-9-17(13-18,10-7-15)20-12-8-16-5-3-4-11-19-16/h3-5,11,14-15H,6-10,12-13,18H2,1-2H3
InChIKeyMVLVWKRMOHMXPQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.18
Rot. Bonds6

About [4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine

[4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine (PubChem CID 65052570) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine
PubChem CID65052570
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCCc2ccccn2)CC1
InChIInChI=1S/C17H28N2O/c1-14(2)15-6-9-17(13-18,10-7-15)20-12-8-16-5-3-4-11-19-16/h3-5,11,14-15H,6-10,12-13,18H2,1-2H3
InChIKeyMVLVWKRMOHMXPQ-UHFFFAOYSA-N
XLogP3.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(2-pyridin-2-ylethoxy)cyclopentyl]methanamine
CID 65051527
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
3-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclobutan-1-amine
CID 103560787
2-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]pyridine
CID 162490805
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine
CID 19697050
(1-cyclobutyl-4-pyridin-2-ylbutan-2-yl)hydrazine
CID 105310094
1-(aminomethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]cyclohexan-1-ol
CID 117039421
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-3-pyridin-2-ylpropan-1-amine
CID 105166307
1-(6-oxaspiro[4.5]decan-9-yl)-3-pyridin-2-ylpropan-1-amine
CID 105170221
2-pyridin-2-ylethoxymethanedithioate
CID 175683293
3-cyclopropyl-1-pyridin-2-ylbutan-2-amine
CID 83155129

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine (CID 65052570) is [4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine is CC(C)C1CCC(CN)(OCCc2ccccn2)CC1.
What is the InChIKey of [4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine?
The InChIKey is MVLVWKRMOHMXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)15-6-9-17(13-18,10-7-15)20-12-8-16-5-3-4-11-19-16/h3-5,11,14-15H,6-10,12-13,18H2,1-2H3.
What are the key properties of [4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine?
[4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine has a molecular weight of 276.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-1-(2-pyridin-2-ylethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65052570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).