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

C14H27ClN2O — CID 103969104

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
SMILESCN1CCOC(CNCC2(CCl)CCCCC2)C1
InChIInChI=1S/C14H27ClN2O/c1-17-7-8-18-13(10-17)9-16-12-14(11-15)5-3-2-4-6-14/h13,16H,2-12H2,1H3
InChIKeyRIPKDNAIALNPBQ-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.10
Rot. Bonds5

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

N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine (PubChem CID 103969104) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
PubChem CID103969104
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
SMILESCN1CCOC(CNCC2(CCl)CCCCC2)C1
InChIInChI=1S/C14H27ClN2O/c1-17-7-8-18-13(10-17)9-16-12-14(11-15)5-3-2-4-6-14/h13,16H,2-12H2,1H3
InChIKeyRIPKDNAIALNPBQ-UHFFFAOYSA-N
XLogP2.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.10
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-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419179
N-[(1-methylcyclobutyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 106813132
N-[(1-methylcyclopropyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 107166209
2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 79071412
N-[(4-methylmorpholin-2-yl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102897468
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 109469693
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
1-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79082482
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
CID 115363404
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
CID 115363368
1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 106123425

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine (CID 103969104) is N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine is CN1CCOC(CNCC2(CCl)CCCCC2)C1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is RIPKDNAIALNPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2O/c1-17-7-8-18-13(10-17)9-16-12-14(11-15)5-3-2-4-6-14/h13,16H,2-12H2,1H3.
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine?
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 274.84 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 103969104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).