[4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol

C17H34N2O2 — CID 114776480

IUPAC[4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCCC1CCC(CN)C(N2CC(CO)OC(C)(C)C2)C1
InChIInChI=1S/C17H34N2O2/c1-4-5-13-6-7-14(9-18)16(8-13)19-10-15(11-20)21-17(2,3)12-19/h13-16,20H,4-12,18H2,1-3H3
InChIKeyLWCVOUHUCFETMZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.00
Rot. Bonds5

About [4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776480) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776480
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name[4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCCC1CCC(CN)C(N2CC(CO)OC(C)(C)C2)C1
InChIInChI=1S/C17H34N2O2/c1-4-5-13-6-7-14(9-18)16(8-13)19-10-15(11-20)21-17(2,3)12-19/h13-16,20H,4-12,18H2,1-3H3
InChIKeyLWCVOUHUCFETMZ-UHFFFAOYSA-N
XLogP2.00
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile
CID 114776918
(4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
CID 43530816
[4-(3-ethylcyclohexyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779892
[2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine
CID 62987758
[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine
CID 63603329
(6,6-dimethyl-4-piperidin-4-ylmorpholin-2-yl)methanol
CID 114782622
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
[2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine
CID 43575808
7-[2-(aminomethyl)-5-propylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095730
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114776480) is [4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol is CCCC1CCC(CN)C(N2CC(CO)OC(C)(C)C2)C1.
What is the InChIKey of [4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is LWCVOUHUCFETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-5-13-6-7-14(9-18)16(8-13)19-10-15(11-20)21-17(2,3)12-19/h13-16,20H,4-12,18H2,1-3H3.
What are the key properties of [4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 298.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).