[5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol

C15H24N2O — CID 173159062

IUPAC[5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=CCCC(N2CCCN(C3CC3)CC2)=C1
InChIInChI=1S/C15H24N2O/c18-12-13-3-1-4-15(11-13)17-8-2-7-16(9-10-17)14-5-6-14/h3,11,14,18H,1-2,4-10,12H2
InChIKeyZSAJZCDMWGSDBN-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.75
Rot. Bonds3

About [5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol

[5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 173159062) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol
PubChem CID173159062
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=CCCC(N2CCCN(C3CC3)CC2)=C1
InChIInChI=1S/C15H24N2O/c18-12-13-3-1-4-15(11-13)17-8-2-7-16(9-10-17)14-5-6-14/h3,11,14,18H,1-2,4-10,12H2
InChIKeyZSAJZCDMWGSDBN-UHFFFAOYSA-N
XLogP1.75
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol (CID 173159062) is [5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol is OCC1=CCCC(N2CCCN(C3CC3)CC2)=C1.
What is the InChIKey of [5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is ZSAJZCDMWGSDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-12-13-3-1-4-15(11-13)17-8-2-7-16(9-10-17)14-5-6-14/h3,11,14,18H,1-2,4-10,12H2.
What are the key properties of [5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
[5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 248.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclopropyl-1,4-diazepan-1-yl)cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 173159062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).