1-(5-aminopentyl)-4-methylazepan-4-ol

C12H26N2O — CID 107403958

IUPAC1-(5-aminopentyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCCCCN)CC1
InChIInChI=1S/C12H26N2O/c1-12(15)6-5-10-14(11-7-12)9-4-2-3-8-13/h15H,2-11,13H2,1H3
InChIKeyFXVUXAMQTHCLIW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.35
Rot. Bonds5

About 1-(5-aminopentyl)-4-methylazepan-4-ol

1-(5-aminopentyl)-4-methylazepan-4-ol (PubChem CID 107403958) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(5-aminopentyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(5-aminopentyl)-4-methylazepan-4-ol
PubChem CID107403958
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(5-aminopentyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCCCCN)CC1
InChIInChI=1S/C12H26N2O/c1-12(15)6-5-10-14(11-7-12)9-4-2-3-8-13/h15H,2-11,13H2,1H3
InChIKeyFXVUXAMQTHCLIW-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.35
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-(5-aminopentyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(5-aminopentyl)-4-methylazepan-4-ol (CID 107403958) is 1-(5-aminopentyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(5-aminopentyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(5-aminopentyl)-4-methylazepan-4-ol is CC1(O)CCCN(CCCCCN)CC1.
What is the InChIKey of 1-(5-aminopentyl)-4-methylazepan-4-ol?
The InChIKey is FXVUXAMQTHCLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(15)6-5-10-14(11-7-12)9-4-2-3-8-13/h15H,2-11,13H2,1H3.
What are the key properties of 1-(5-aminopentyl)-4-methylazepan-4-ol?
1-(5-aminopentyl)-4-methylazepan-4-ol has a molecular weight of 214.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107403958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).