1-(4-aminobutyl)-4-methylazepan-4-ol

C11H24N2O — CID 107403988

IUPAC1-(4-aminobutyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCCCN)CC1
InChIInChI=1S/C11H24N2O/c1-11(14)5-4-9-13(10-6-11)8-3-2-7-12/h14H,2-10,12H2,1H3
InChIKeySDFVBUPSOJHOJY-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.96
Rot. Bonds4

About 1-(4-aminobutyl)-4-methylazepan-4-ol

1-(4-aminobutyl)-4-methylazepan-4-ol (PubChem CID 107403988) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(4-aminobutyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(4-aminobutyl)-4-methylazepan-4-ol
PubChem CID107403988
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(4-aminobutyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCCCN)CC1
InChIInChI=1S/C11H24N2O/c1-11(14)5-4-9-13(10-6-11)8-3-2-7-12/h14H,2-10,12H2,1H3
InChIKeySDFVBUPSOJHOJY-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(4-aminobutyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(4-aminobutyl)-4-methylazepan-4-ol (CID 107403988) is 1-(4-aminobutyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(4-aminobutyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(4-aminobutyl)-4-methylazepan-4-ol is CC1(O)CCCN(CCCCN)CC1.
What is the InChIKey of 1-(4-aminobutyl)-4-methylazepan-4-ol?
The InChIKey is SDFVBUPSOJHOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(14)5-4-9-13(10-6-11)8-3-2-7-12/h14H,2-10,12H2,1H3.
What are the key properties of 1-(4-aminobutyl)-4-methylazepan-4-ol?
1-(4-aminobutyl)-4-methylazepan-4-ol has a molecular weight of 200.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107403988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).