1-(4-methoxyazepan-4-yl)-N-methylmethanamine

C9H20N2O — CID 105435279

IUPAC1-(4-methoxyazepan-4-yl)-N-methylmethanamine
SMILESCNCC1(OC)CCCNCC1
InChIInChI=1S/C9H20N2O/c1-10-8-9(12-2)4-3-6-11-7-5-9/h10-11H,3-8H2,1-2H3
InChIKeyBEAZYMLVZOSMGI-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.36
Rot. Bonds3

About 1-(4-methoxyazepan-4-yl)-N-methylmethanamine

1-(4-methoxyazepan-4-yl)-N-methylmethanamine (PubChem CID 105435279) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(4-methoxyazepan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-methoxyazepan-4-yl)-N-methylmethanamine
PubChem CID105435279
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(4-methoxyazepan-4-yl)-N-methylmethanamine
SMILESCNCC1(OC)CCCNCC1
InChIInChI=1S/C9H20N2O/c1-10-8-9(12-2)4-3-6-11-7-5-9/h10-11H,3-8H2,1-2H3
InChIKeyBEAZYMLVZOSMGI-UHFFFAOYSA-N
XLogP0.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyazepan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-methoxyazepan-4-yl)-N-methylmethanamine (CID 105435279) is 1-(4-methoxyazepan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-methoxyazepan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-methoxyazepan-4-yl)-N-methylmethanamine is CNCC1(OC)CCCNCC1.
What is the InChIKey of 1-(4-methoxyazepan-4-yl)-N-methylmethanamine?
The InChIKey is BEAZYMLVZOSMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-8-9(12-2)4-3-6-11-7-5-9/h10-11H,3-8H2,1-2H3.
What are the key properties of 1-(4-methoxyazepan-4-yl)-N-methylmethanamine?
1-(4-methoxyazepan-4-yl)-N-methylmethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyazepan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 105435279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).