4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol

C17H34N2O2 — CID 114953652

IUPAC4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol
SMILESCCCNCC1(CN(C)CC2(O)CCOCC2)CCCC1
InChIInChI=1S/C17H34N2O2/c1-3-10-18-13-16(6-4-5-7-16)14-19(2)15-17(20)8-11-21-12-9-17/h18,20H,3-15H2,1-2H3
InChIKeyXXBQUDFWAHHKTB-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.02
Rot. Bonds8

About 4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol

4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol (PubChem CID 114953652) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol
PubChem CID114953652
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol
SMILESCCCNCC1(CN(C)CC2(O)CCOCC2)CCCC1
InChIInChI=1S/C17H34N2O2/c1-3-10-18-13-16(6-4-5-7-16)14-19(2)15-17(20)8-11-21-12-9-17/h18,20H,3-15H2,1-2H3
InChIKeyXXBQUDFWAHHKTB-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953493
N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 63713396
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine
CID 62258237
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
CID 62260720
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
CID 114952439
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 114953386

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol (CID 114953652) is 4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol is CCCNCC1(CN(C)CC2(O)CCOCC2)CCCC1.
What is the InChIKey of 4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol?
The InChIKey is XXBQUDFWAHHKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-3-10-18-13-16(6-4-5-7-16)14-19(2)15-17(20)8-11-21-12-9-17/h18,20H,3-15H2,1-2H3.
What are the key properties of 4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol?
4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol has a molecular weight of 298.47 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 114953652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).