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

C13H27N3O — CID 65074829

IUPAC[1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine
SMILESCC1CN(C2(CN)CCCN(C)CC2)CCO1
InChIInChI=1S/C13H27N3O/c1-12-10-16(8-9-17-12)13(11-14)4-3-6-15(2)7-5-13/h12H,3-11,14H2,1-2H3
InChIKeyFAMQQMBVRYJBHN-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.52
Rot. Bonds2

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

[1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine (PubChem CID 65074829) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is [1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine
PubChem CID65074829
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name[1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine
SMILESCC1CN(C2(CN)CCCN(C)CC2)CCO1
InChIInChI=1S/C13H27N3O/c1-12-10-16(8-9-17-12)13(11-14)4-3-6-15(2)7-5-13/h12H,3-11,14H2,1-2H3
InChIKeyFAMQQMBVRYJBHN-UHFFFAOYSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine?
The IUPAC name of [1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine (CID 65074829) is [1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine?
The canonical SMILES for [1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine is CC1CN(C2(CN)CCCN(C)CC2)CCO1.
What is the InChIKey of [1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine?
The InChIKey is FAMQQMBVRYJBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12-10-16(8-9-17-12)13(11-14)4-3-6-15(2)7-5-13/h12H,3-11,14H2,1-2H3.
What are the key properties of [1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine?
[1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine has a molecular weight of 241.38 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(2-methylmorpholin-4-yl)azepan-4-yl]methanamine is sourced from PubChem (CID 65074829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).