4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine

C14H30N2O — CID 66263645

IUPAC4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine
SMILESCCCCCN(CC1(C)COCC1N)C(C)C
InChIInChI=1S/C14H30N2O/c1-5-6-7-8-16(12(2)3)10-14(4)11-17-9-13(14)15/h12-13H,5-11,15H2,1-4H3
InChIKeySLCGXEFGLDZWHY-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds7

About 4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine

4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine (PubChem CID 66263645) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine
PubChem CID66263645
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine
SMILESCCCCCN(CC1(C)COCC1N)C(C)C
InChIInChI=1S/C14H30N2O/c1-5-6-7-8-16(12(2)3)10-14(4)11-17-9-13(14)15/h12-13H,5-11,15H2,1-4H3
InChIKeySLCGXEFGLDZWHY-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
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

4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-4-methyloxolan-3-amine
CID 82951489
4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine
CID 66263782
N'-[(4-amino-3-methyloxolan-3-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 66264505
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62392039
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62259286
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65013731
2-[2-[pentyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79565510
4-[[pentyl(propan-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 62390838
4-amino-N-pentyl-N-propan-2-yloxolane-3-carboxamide
CID 66238860
N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 104594932
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine
CID 66263079

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine (CID 66263645) is 4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine is CCCCCN(CC1(C)COCC1N)C(C)C.
What is the InChIKey of 4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine?
The InChIKey is SLCGXEFGLDZWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-7-8-16(12(2)3)10-14(4)11-17-9-13(14)15/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine?
4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66263645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).