N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine

C15H30N2O — CID 62255949

IUPACN-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)C(C)C2CC2)CCOC1
InChIInChI=1S/C15H30N2O/c1-4-8-16-10-15(7-9-18-12-15)11-17(3)13(2)14-5-6-14/h13-14,16H,4-12H2,1-3H3
InChIKeyWWYIUDMFPOPMCU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds8

About N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine

N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62255949) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62255949
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)C(C)C2CC2)CCOC1
InChIInChI=1S/C15H30N2O/c1-4-8-16-10-15(7-9-18-12-15)11-17(3)13(2)14-5-6-14/h13-14,16H,4-12H2,1-3H3
InChIKeyWWYIUDMFPOPMCU-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine (CID 62255949) is N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CN(C)C(C)C2CC2)CCOC1.
What is the InChIKey of N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is WWYIUDMFPOPMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-8-16-10-15(7-9-18-12-15)11-17(3)13(2)14-5-6-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62255949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).