(1-butan-2-yl-1,4-diazepan-2-yl)methanol

C10H22N2O — CID 82241022

IUPAC(1-butan-2-yl-1,4-diazepan-2-yl)methanol
SMILESCCC(C)N1CCCNCC1CO
InChIInChI=1S/C10H22N2O/c1-3-9(2)12-6-4-5-11-7-10(12)8-13/h9-11,13H,3-8H2,1-2H3
InChIKeyJDDMRDDYLGOOOK-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds3

About (1-butan-2-yl-1,4-diazepan-2-yl)methanol

(1-butan-2-yl-1,4-diazepan-2-yl)methanol (PubChem CID 82241022) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (1-butan-2-yl-1,4-diazepan-2-yl)methanol.

Molecular Properties

Compound Name(1-butan-2-yl-1,4-diazepan-2-yl)methanol
PubChem CID82241022
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(1-butan-2-yl-1,4-diazepan-2-yl)methanol
SMILESCCC(C)N1CCCNCC1CO
InChIInChI=1S/C10H22N2O/c1-3-9(2)12-6-4-5-11-7-10(12)8-13/h9-11,13H,3-8H2,1-2H3
InChIKeyJDDMRDDYLGOOOK-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butan-2-yl-1,4-diazepan-2-yl)methanol?
The IUPAC name of (1-butan-2-yl-1,4-diazepan-2-yl)methanol (CID 82241022) is (1-butan-2-yl-1,4-diazepan-2-yl)methanol.
What is the SMILES notation for (1-butan-2-yl-1,4-diazepan-2-yl)methanol?
The canonical SMILES for (1-butan-2-yl-1,4-diazepan-2-yl)methanol is CCC(C)N1CCCNCC1CO.
What is the InChIKey of (1-butan-2-yl-1,4-diazepan-2-yl)methanol?
The InChIKey is JDDMRDDYLGOOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-9(2)12-6-4-5-11-7-10(12)8-13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of (1-butan-2-yl-1,4-diazepan-2-yl)methanol?
(1-butan-2-yl-1,4-diazepan-2-yl)methanol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-yl-1,4-diazepan-2-yl)methanol is sourced from PubChem (CID 82241022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).