2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol

C11H24N2O2 — CID 58861594

IUPAC2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol
SMILESCC(CO)N1CCCN(C(C)CO)CC1
InChIInChI=1S/C11H24N2O2/c1-10(8-14)12-4-3-5-13(7-6-12)11(2)9-15/h10-11,14-15H,3-9H2,1-2H3
InChIKeyIPUHKKGRSRPCQC-UHFFFAOYSA-N
MW216.32 g/mol
LogP-0.24
Rot. Bonds4

About 2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol

2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol (PubChem CID 58861594) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol
PubChem CID58861594
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol
SMILESCC(CO)N1CCCN(C(C)CO)CC1
InChIInChI=1S/C11H24N2O2/c1-10(8-14)12-4-3-5-13(7-6-12)11(2)9-15/h10-11,14-15H,3-9H2,1-2H3
InChIKeyIPUHKKGRSRPCQC-UHFFFAOYSA-N
XLogP-0.24
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol?
The IUPAC name of 2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol (CID 58861594) is 2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol.
What is the SMILES notation for 2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol?
The canonical SMILES for 2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol is CC(CO)N1CCCN(C(C)CO)CC1.
What is the InChIKey of 2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol?
The InChIKey is IPUHKKGRSRPCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-10(8-14)12-4-3-5-13(7-6-12)11(2)9-15/h10-11,14-15H,3-9H2,1-2H3.
What are the key properties of 2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol?
2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol has a molecular weight of 216.32 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol is sourced from PubChem (CID 58861594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).