3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol

C11H23N3O — CID 66509758

IUPAC3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol
SMILESCN1CCCN(CC2(O)CCNC2)CC1
InChIInChI=1S/C11H23N3O/c1-13-5-2-6-14(8-7-13)10-11(15)3-4-12-9-11/h12,15H,2-10H2,1H3
InChIKeyNRSSNRKWWDIQDY-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.65
Rot. Bonds2

About 3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol

3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol (PubChem CID 66509758) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol
PubChem CID66509758
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol
SMILESCN1CCCN(CC2(O)CCNC2)CC1
InChIInChI=1S/C11H23N3O/c1-13-5-2-6-14(8-7-13)10-11(15)3-4-12-9-11/h12,15H,2-10H2,1H3
InChIKeyNRSSNRKWWDIQDY-UHFFFAOYSA-N
XLogP-0.65
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol (CID 66509758) is 3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol is CN1CCCN(CC2(O)CCNC2)CC1.
What is the InChIKey of 3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol?
The InChIKey is NRSSNRKWWDIQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13-5-2-6-14(8-7-13)10-11(15)3-4-12-9-11/h12,15H,2-10H2,1H3.
What are the key properties of 3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol?
3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol has a molecular weight of 213.32 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66509758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).