N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine

C15H32N2O — CID 62259286

IUPACN-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CC1(CNC)CCOC1)C(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-7-9-17(14(2)3)12-15(11-16-4)8-10-18-13-15/h14,16H,5-13H2,1-4H3
InChIKeyGBGSZUZZOFCEGX-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

About N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine

N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 62259286) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
PubChem CID62259286
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CC1(CNC)CCOC1)C(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-7-9-17(14(2)3)12-15(11-16-4)8-10-18-13-15/h14,16H,5-13H2,1-4H3
InChIKeyGBGSZUZZOFCEGX-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62392039
3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
CID 62270792
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362
N,4-dimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]pentan-2-amine
CID 55056496
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62262002
3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
CID 107871141
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
CID 62260430
4-[[pentyl(propan-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 62390838
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65013731
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 82952519

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine (CID 62259286) is N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(CC1(CNC)CCOC1)C(C)C.
What is the InChIKey of N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is GBGSZUZZOFCEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-7-9-17(14(2)3)12-15(11-16-4)8-10-18-13-15/h14,16H,5-13H2,1-4H3.
What are the key properties of N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine?
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62259286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).