4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine

C10H22N2O2 — CID 65079390

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine
SMILESCOCCNC1(CN)CCCOCC1
InChIInChI=1S/C10H22N2O2/c1-13-8-5-12-10(9-11)3-2-6-14-7-4-10/h12H,2-9,11H2,1H3
InChIKeyNHOGSSCEESXHBK-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.12
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine

4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine (PubChem CID 65079390) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine
PubChem CID65079390
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine
SMILESCOCCNC1(CN)CCCOCC1
InChIInChI=1S/C10H22N2O2/c1-13-8-5-12-10(9-11)3-2-6-14-7-4-10/h12H,2-9,11H2,1H3
InChIKeyNHOGSSCEESXHBK-UHFFFAOYSA-N
XLogP0.12
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine (CID 65079390) is 4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine is COCCNC1(CN)CCCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine?
The InChIKey is NHOGSSCEESXHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-13-8-5-12-10(9-11)3-2-6-14-7-4-10/h12H,2-9,11H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine?
4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine has a molecular weight of 202.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)oxepan-4-amine is sourced from PubChem (CID 65079390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).