N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine

C16H34N2O — CID 62390423

IUPACN-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine
SMILESCCCNCC1(CN(CC)C(C)CC)CCOCC1
InChIInChI=1S/C16H34N2O/c1-5-10-17-13-16(8-11-19-12-9-16)14-18(7-3)15(4)6-2/h15,17H,5-14H2,1-4H3
InChIKeyYDIDBLXKGZIHLY-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds9

About N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine

N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine (PubChem CID 62390423) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine
PubChem CID62390423
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine
SMILESCCCNCC1(CN(CC)C(C)CC)CCOCC1
InChIInChI=1S/C16H34N2O/c1-5-10-17-13-16(8-11-19-12-9-16)14-18(7-3)15(4)6-2/h15,17H,5-14H2,1-4H3
InChIKeyYDIDBLXKGZIHLY-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
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-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine?
The IUPAC name of N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine (CID 62390423) is N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine.
What is the SMILES notation for N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine?
The canonical SMILES for N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine is CCCNCC1(CN(CC)C(C)CC)CCOCC1.
What is the InChIKey of N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine?
The InChIKey is YDIDBLXKGZIHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-10-17-13-16(8-11-19-12-9-16)14-18(7-3)15(4)6-2/h15,17H,5-14H2,1-4H3.
What are the key properties of N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine?
N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine is sourced from PubChem (CID 62390423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).