4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol

C13H26N2O2 — CID 114952488

IUPAC4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol
SMILESCN(CCCNC1CC1)CC1(O)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-15(8-2-7-14-12-3-4-12)11-13(16)5-9-17-10-6-13/h12,14,16H,2-11H2,1H3
InChIKeyDPJUWSUOZXKAFK-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.60
Rot. Bonds7

About 4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol

4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol (PubChem CID 114952488) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol
PubChem CID114952488
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol
SMILESCN(CCCNC1CC1)CC1(O)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-15(8-2-7-14-12-3-4-12)11-13(16)5-9-17-10-6-13/h12,14,16H,2-11H2,1H3
InChIKeyDPJUWSUOZXKAFK-UHFFFAOYSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]methyl]oxan-4-ol
CID 114953571
4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
CID 105343882
4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol
CID 105344297
4-[[5-chloropentyl(methyl)amino]methyl]oxan-4-ol
CID 114952437
4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol
CID 114954279
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978
1-[[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953501

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol (CID 114952488) is 4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol is CN(CCCNC1CC1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol?
The InChIKey is DPJUWSUOZXKAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15(8-2-7-14-12-3-4-12)11-13(16)5-9-17-10-6-13/h12,14,16H,2-11H2,1H3.
What are the key properties of 4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol?
4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol has a molecular weight of 242.36 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114952488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).