N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine

C15H32N2O — CID 55241078

IUPACN-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CC)CC1(CNCC)CCCOC1
InChIInChI=1S/C15H32N2O/c1-4-7-10-17(6-3)13-15(12-16-5-2)9-8-11-18-14-15/h16H,4-14H2,1-3H3
InChIKeyHRJVWNJYKPSGMS-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

About N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine

N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine (PubChem CID 55241078) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
PubChem CID55241078
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CC)CC1(CNCC)CCCOC1
InChIInChI=1S/C15H32N2O/c1-4-7-10-17(6-3)13-15(12-16-5-2)9-8-11-18-14-15/h16H,4-14H2,1-3H3
InChIKeyHRJVWNJYKPSGMS-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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine (CID 55241078) is N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine is CCCCN(CC)CC1(CNCC)CCCOC1.
What is the InChIKey of N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine?
The InChIKey is HRJVWNJYKPSGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-7-10-17(6-3)13-15(12-16-5-2)9-8-11-18-14-15/h16H,4-14H2,1-3H3.
What are the key properties of N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine?
N-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-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-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 55241078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).