N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine

C17H25NO — CID 79978075

IUPACN-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1ccc(C2CC2)cc1
InChIInChI=1S/C17H25NO/c1-2-10-18-12-16-9-11-19-17(16)15-7-5-14(6-8-15)13-3-4-13/h5-8,13,16-18H,2-4,9-12H2,1H3
InChIKeyGIRZSQURNCMJPS-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.64
Rot. Bonds6

About N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine

N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 79978075) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID79978075
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1ccc(C2CC2)cc1
InChIInChI=1S/C17H25NO/c1-2-10-18-12-16-9-11-19-17(16)15-7-5-14(6-8-15)13-3-4-13/h5-8,13,16-18H,2-4,9-12H2,1H3
InChIKeyGIRZSQURNCMJPS-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine (CID 79978075) is N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1CCOC1c1ccc(C2CC2)cc1.
What is the InChIKey of N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is GIRZSQURNCMJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-10-18-12-16-9-11-19-17(16)15-7-5-14(6-8-15)13-3-4-13/h5-8,13,16-18H,2-4,9-12H2,1H3.
What are the key properties of N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79978075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).