1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine

C19H36N2O — CID 97323727

IUPAC1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine
SMILESC[C@H](NC1CCN([C@@H]2CCCC[C@H]2C)CC1)C1CCOCC1
InChIInChI=1S/C19H36N2O/c1-15-5-3-4-6-19(15)21-11-7-18(8-12-21)20-16(2)17-9-13-22-14-10-17/h15-20H,3-14H2,1-2H3/t15-,16+,19-/m1/s1
InChIKeyYEMUAHPLJOHXTK-JTDSTZFVSA-N
MW308.51 g/mol
LogP3.43
Rot. Bonds4

About 1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine

1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine (PubChem CID 97323727) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine
PubChem CID97323727
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine
SMILESC[C@H](NC1CCN([C@@H]2CCCC[C@H]2C)CC1)C1CCOCC1
InChIInChI=1S/C19H36N2O/c1-15-5-3-4-6-19(15)21-11-7-18(8-12-21)20-16(2)17-9-13-22-14-10-17/h15-20H,3-14H2,1-2H3/t15-,16+,19-/m1/s1
InChIKeyYEMUAHPLJOHXTK-JTDSTZFVSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine with MolForge

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Related Compounds

N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 103781301
4-methyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103901835
N-methyl-1-(2-methylcyclohexyl)piperidin-4-amine
CID 43315447
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
N-cyclohexyl-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]piperidine-1-carboxamide
CID 97070572
N-(1-cyclopentylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55096518
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
N-(1-cyclohexylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783420
N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852806
1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine
CID 99632337
tert-butyl (4R)-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]azepane-1-carboxylate
CID 99821438
tert-butyl (4S)-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]azepane-1-carboxylate
CID 99821439

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine (CID 97323727) is 1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine is C[C@H](NC1CCN([C@@H]2CCCC[C@H]2C)CC1)C1CCOCC1.
What is the InChIKey of 1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine?
The InChIKey is YEMUAHPLJOHXTK-JTDSTZFVSA-N. The full InChI is InChI=1S/C19H36N2O/c1-15-5-3-4-6-19(15)21-11-7-18(8-12-21)20-16(2)17-9-13-22-14-10-17/h15-20H,3-14H2,1-2H3/t15-,16+,19-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine?
1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine has a molecular weight of 308.51 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 97323727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).