1-(4-methylmorpholin-2-yl)heptan-1-amine

C12H26N2O — CID 79093223

IUPAC1-(4-methylmorpholin-2-yl)heptan-1-amine
SMILESCCCCCCC(N)C1CN(C)CCO1
InChIInChI=1S/C12H26N2O/c1-3-4-5-6-7-11(13)12-10-14(2)8-9-15-12/h11-12H,3-10,13H2,1-2H3
InChIKeyUHAJVNRSVMOCDF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds6

About 1-(4-methylmorpholin-2-yl)heptan-1-amine

1-(4-methylmorpholin-2-yl)heptan-1-amine (PubChem CID 79093223) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)heptan-1-amine.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)heptan-1-amine
PubChem CID79093223
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(4-methylmorpholin-2-yl)heptan-1-amine
SMILESCCCCCCC(N)C1CN(C)CCO1
InChIInChI=1S/C12H26N2O/c1-3-4-5-6-7-11(13)12-10-14(2)8-9-15-12/h11-12H,3-10,13H2,1-2H3
InChIKeyUHAJVNRSVMOCDF-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propan-2-ylmorpholin-2-yl)decan-1-amine
CID 79664269
N-ethyl-1-(4-methylmorpholin-2-yl)heptan-1-amine
CID 79092487
1-(oxan-2-yl)tridecan-1-amine
CID 115846551
2-methyl-1-(4-methylmorpholin-2-yl)pentan-1-amine
CID 107896693
N-methyl-1-(4-methylmorpholin-2-yl)pentan-1-amine
CID 79093239
3-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
CID 79185967
2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine
CID 176694052
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)decan-1-amine
CID 79088301
(4-methylmorpholin-2-yl)methanol;nonane
CID 143690142
(2R)-4-methyl-2-propan-2-ylmorpholine
CID 155242186
(4-ethylcyclohexyl)-(4-methylmorpholin-2-yl)methanamine
CID 79092670
[2-methyl-1-(4-methylmorpholin-2-yl)pentyl]hydrazine
CID 107895184

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)heptan-1-amine?
The IUPAC name of 1-(4-methylmorpholin-2-yl)heptan-1-amine (CID 79093223) is 1-(4-methylmorpholin-2-yl)heptan-1-amine.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)heptan-1-amine?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)heptan-1-amine is CCCCCCC(N)C1CN(C)CCO1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)heptan-1-amine?
The InChIKey is UHAJVNRSVMOCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-5-6-7-11(13)12-10-14(2)8-9-15-12/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)heptan-1-amine?
1-(4-methylmorpholin-2-yl)heptan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)heptan-1-amine is sourced from PubChem (CID 79093223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).