N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine

C18H36N2O — CID 62261834

IUPACN-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCOC1CCN(CC2(CNCC(C)C)CCCCC2)CC1
InChIInChI=1S/C18H36N2O/c1-16(2)13-19-14-18(9-5-4-6-10-18)15-20-11-7-17(21-3)8-12-20/h16-17,19H,4-15H2,1-3H3
InChIKeyAUCZNRWSCGKOHT-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds7

About N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 62261834) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID62261834
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCOC1CCN(CC2(CNCC(C)C)CCCCC2)CC1
InChIInChI=1S/C18H36N2O/c1-16(2)13-19-14-18(9-5-4-6-10-18)15-20-11-7-17(21-3)8-12-20/h16-17,19H,4-15H2,1-3H3
InChIKeyAUCZNRWSCGKOHT-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine (CID 62261834) is N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine is COC1CCN(CC2(CNCC(C)C)CCCCC2)CC1.
What is the InChIKey of N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is AUCZNRWSCGKOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-16(2)13-19-14-18(9-5-4-6-10-18)15-20-11-7-17(21-3)8-12-20/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62261834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).