2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol

C12H24N2O — CID 62610755

IUPAC2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol
SMILESCN1CCCN(CC2CCCC2O)CC1
InChIInChI=1S/C12H24N2O/c1-13-6-3-7-14(9-8-13)10-11-4-2-5-12(11)15/h11-12,15H,2-10H2,1H3
InChIKeyRPBUVGUWGDYELY-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.78
Rot. Bonds2

About 2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol

2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol (PubChem CID 62610755) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol
PubChem CID62610755
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol
SMILESCN1CCCN(CC2CCCC2O)CC1
InChIInChI=1S/C12H24N2O/c1-13-6-3-7-14(9-8-13)10-11-4-2-5-12(11)15/h11-12,15H,2-10H2,1H3
InChIKeyRPBUVGUWGDYELY-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol (CID 62610755) is 2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol is CN1CCCN(CC2CCCC2O)CC1.
What is the InChIKey of 2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol?
The InChIKey is RPBUVGUWGDYELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13-6-3-7-14(9-8-13)10-11-4-2-5-12(11)15/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol?
2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 62610755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).