diazepan-1-ylmethanol

C6H14N2O — CID 23083663

IUPACdiazepan-1-ylmethanol
SMILESOCN1CCCCCN1
InChIInChI=1S/C6H14N2O/c9-6-8-5-3-1-2-4-7-8/h7,9H,1-6H2
InChIKeyLFZIDORJOPLFAE-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.07
Rot. Bonds1

About diazepan-1-ylmethanol

diazepan-1-ylmethanol (PubChem CID 23083663) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is diazepan-1-ylmethanol.

Molecular Properties

Compound Namediazepan-1-ylmethanol
PubChem CID23083663
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Namediazepan-1-ylmethanol
SMILESOCN1CCCCCN1
InChIInChI=1S/C6H14N2O/c9-6-8-5-3-1-2-4-7-8/h7,9H,1-6H2
InChIKeyLFZIDORJOPLFAE-UHFFFAOYSA-N
XLogP-0.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diazinan-1-ylmethyl)pyrimidine
CID 131003135
1-propylpyrazolidine
CID 19604024
1-pyrrolidin-1-yldiazepane
CID 66967959
1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane
CID 167260336
1-[(2-bromophenyl)methyl]diazinane
CID 130961372
3-pyrazolidin-1-ylpropan-1-amine
CID 54380044
1-(diazepan-1-yl)ethanamine
CID 173102970
1-[2-(oxolan-2-yl)ethyl]diazinane
CID 131198303
1-(2-pyridin-2-ylethyl)diazinane
CID 130826026
1-[(5-methyl-3-pyridinyl)methyl]diazinane
CID 131036617
pyrrolidin-1-ylmethanol;hydrochloride
CID 68973638
1-[(1-ethylimidazol-2-yl)methyl]diazinane
CID 131219616

Frequently Asked Questions

What is the IUPAC name of diazepan-1-ylmethanol?
The IUPAC name of diazepan-1-ylmethanol (CID 23083663) is diazepan-1-ylmethanol.
What is the SMILES notation for diazepan-1-ylmethanol?
The canonical SMILES for diazepan-1-ylmethanol is OCN1CCCCCN1.
What is the InChIKey of diazepan-1-ylmethanol?
The InChIKey is LFZIDORJOPLFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c9-6-8-5-3-1-2-4-7-8/h7,9H,1-6H2.
What are the key properties of diazepan-1-ylmethanol?
diazepan-1-ylmethanol has a molecular weight of 130.19 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazepan-1-ylmethanol is sourced from PubChem (CID 23083663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).