1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine

C13H25ClN2O — CID 106123425

IUPAC1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
SMILESCN1CCOC(CNCC2CCC(Cl)CC2)C1
InChIInChI=1S/C13H25ClN2O/c1-16-6-7-17-13(10-16)9-15-8-11-2-4-12(14)5-3-11/h11-13,15H,2-10H2,1H3
InChIKeyLUIPXYIMRHLYBR-UHFFFAOYSA-N
MW260.81 g/mol
LogP1.70
Rot. Bonds4

About 1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine

1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine (PubChem CID 106123425) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
PubChem CID106123425
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
SMILESCN1CCOC(CNCC2CCC(Cl)CC2)C1
InChIInChI=1S/C13H25ClN2O/c1-16-6-7-17-13(10-16)9-15-8-11-2-4-12(14)5-3-11/h11-13,15H,2-10H2,1H3
InChIKeyLUIPXYIMRHLYBR-UHFFFAOYSA-N
XLogP1.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorocyclopentyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 79182406
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
1-cyclopropyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]methanamine
CID 95979352
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
2,2-dicyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79172002
3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
1-(cyclopropylmethoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
CID 78945247
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine (CID 106123425) is 1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine is CN1CCOC(CNCC2CCC(Cl)CC2)C1.
What is the InChIKey of 1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine?
The InChIKey is LUIPXYIMRHLYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O/c1-16-6-7-17-13(10-16)9-15-8-11-2-4-12(14)5-3-11/h11-13,15H,2-10H2,1H3.
What are the key properties of 1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine?
1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine has a molecular weight of 260.81 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine is sourced from PubChem (CID 106123425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).