[4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine

C12H21FN2O — CID 163670928

IUPAC[4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1CC1=CCC(F)CC1
InChIInChI=1S/C12H21FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-9-12(15)7-14/h1,11-12H,2-9,14H2
InChIKeyJCLFPDGHYNMQSJ-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.09
Rot. Bonds3

About [4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine

[4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine (PubChem CID 163670928) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is [4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine
PubChem CID163670928
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name[4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1CC1=CCC(F)CC1
InChIInChI=1S/C12H21FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-9-12(15)7-14/h1,11-12H,2-9,14H2
InChIKeyJCLFPDGHYNMQSJ-UHFFFAOYSA-N
XLogP1.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
CID 114490130
4-Morpholin-4-ylcyclohex-2-en-1-amine
CID 126490186
(2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine
CID 134291689
4-(Morpholin-4-ylmethyl)cyclohex-4-ene-1,2-diamine
CID 163621216
3-(Morpholin-4-ylmethyl)cyclopent-3-en-1-amine
CID 163638726
4-[[4,5-Bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methyl]morpholine
CID 168969757
2-(cyclohexen-1-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60692271
N-(2-morpholin-4-ylethyl)cyclohex-3-en-1-amine
CID 65679143
2-(cyclopenten-1-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 106174125
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]morpholine
CID 106314919
1-(Cyclohexen-1-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 106653572
N-(2-morpholin-4-ylethyl)cyclohex-2-en-1-amine
CID 107906440

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine?
The IUPAC name of [4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine (CID 163670928) is [4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine.
What is the SMILES notation for [4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine?
The canonical SMILES for [4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine is NCC1COCCN1CC1=CCC(F)CC1.
What is the InChIKey of [4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine?
The InChIKey is JCLFPDGHYNMQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-9-12(15)7-14/h1,11-12H,2-9,14H2.
What are the key properties of [4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine?
[4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine has a molecular weight of 228.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine is sourced from PubChem (CID 163670928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).