1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol

C11H24N2O — CID 65211357

IUPAC1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
SMILESCN(C)CCCNCC1(O)CCCC1
InChIInChI=1S/C11H24N2O/c1-13(2)9-5-8-12-10-11(14)6-3-4-7-11/h12,14H,3-10H2,1-2H3
InChIKeyJJLMVAHHFVXGNR-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds6

About 1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol

1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol (PubChem CID 65211357) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
PubChem CID65211357
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
SMILESCN(C)CCCNCC1(O)CCCC1
InChIInChI=1S/C11H24N2O/c1-13(2)9-5-8-12-10-11(14)6-3-4-7-11/h12,14H,3-10H2,1-2H3
InChIKeyJJLMVAHHFVXGNR-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol (CID 65211357) is 1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol is CN(C)CCCNCC1(O)CCCC1.
What is the InChIKey of 1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol?
The InChIKey is JJLMVAHHFVXGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-13(2)9-5-8-12-10-11(14)6-3-4-7-11/h12,14H,3-10H2,1-2H3.
What are the key properties of 1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol?
1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65211357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).