2-(1,4-diazepan-1-yl)nonan-1-ol

C14H30N2O — CID 61049439

IUPAC2-(1,4-diazepan-1-yl)nonan-1-ol
SMILESCCCCCCCC(CO)N1CCCNCC1
InChIInChI=1S/C14H30N2O/c1-2-3-4-5-6-8-14(13-17)16-11-7-9-15-10-12-16/h14-15,17H,2-13H2,1H3
InChIKeyWXXQDBRVNRSFOE-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds8

About 2-(1,4-diazepan-1-yl)nonan-1-ol

2-(1,4-diazepan-1-yl)nonan-1-ol (PubChem CID 61049439) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)nonan-1-ol.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)nonan-1-ol
PubChem CID61049439
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(1,4-diazepan-1-yl)nonan-1-ol
SMILESCCCCCCCC(CO)N1CCCNCC1
InChIInChI=1S/C14H30N2O/c1-2-3-4-5-6-8-14(13-17)16-11-7-9-15-10-12-16/h14-15,17H,2-13H2,1H3
InChIKeyWXXQDBRVNRSFOE-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.00
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 2-(1,4-diazepan-1-yl)nonan-1-ol?
The IUPAC name of 2-(1,4-diazepan-1-yl)nonan-1-ol (CID 61049439) is 2-(1,4-diazepan-1-yl)nonan-1-ol.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)nonan-1-ol?
The canonical SMILES for 2-(1,4-diazepan-1-yl)nonan-1-ol is CCCCCCCC(CO)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)nonan-1-ol?
The InChIKey is WXXQDBRVNRSFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-2-3-4-5-6-8-14(13-17)16-11-7-9-15-10-12-16/h14-15,17H,2-13H2,1H3.
What are the key properties of 2-(1,4-diazepan-1-yl)nonan-1-ol?
2-(1,4-diazepan-1-yl)nonan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)nonan-1-ol is sourced from PubChem (CID 61049439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).