1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol

C15H30N2O — CID 107008681

IUPAC1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)C1CN(C)CCCN1C
InChIInChI=1S/C15H30N2O/c1-4-5-6-7-8-10-15(18)14-13-16(2)11-9-12-17(14)3/h4,14-15,18H,1,5-13H2,2-3H3
InChIKeyILQAHMFDRHYVMQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds7

About 1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol

1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol (PubChem CID 107008681) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol
PubChem CID107008681
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)C1CN(C)CCCN1C
InChIInChI=1S/C15H30N2O/c1-4-5-6-7-8-10-15(18)14-13-16(2)11-9-12-17(14)3/h4,14-15,18H,1,5-13H2,2-3H3
InChIKeyILQAHMFDRHYVMQ-UHFFFAOYSA-N
XLogP2.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol?
The IUPAC name of 1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol (CID 107008681) is 1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol.
What is the SMILES notation for 1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol?
The canonical SMILES for 1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol is C=CCCCCCC(O)C1CN(C)CCCN1C.
What is the InChIKey of 1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol?
The InChIKey is ILQAHMFDRHYVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-5-6-7-8-10-15(18)14-13-16(2)11-9-12-17(14)3/h4,14-15,18H,1,5-13H2,2-3H3.
What are the key properties of 1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol?
1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol is sourced from PubChem (CID 107008681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).