N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine

C15H32N2O — CID 55066038

IUPACN-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)CC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C15H32N2O/c1-6-17(7-2)13-15(8-10-18-11-9-15)12-16-14(3,4)5/h16H,6-13H2,1-5H3
InChIKeyCNWUMMJZWLWGKV-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds6

About N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine

N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55066038) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID55066038
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)CC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C15H32N2O/c1-6-17(7-2)13-15(8-10-18-11-9-15)12-16-14(3,4)5/h16H,6-13H2,1-5H3
InChIKeyCNWUMMJZWLWGKV-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine (CID 55066038) is N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine is CCN(CC)CC1(CNC(C)(C)C)CCOCC1.
What is the InChIKey of N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CNWUMMJZWLWGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-17(7-2)13-15(8-10-18-11-9-15)12-16-14(3,4)5/h16H,6-13H2,1-5H3.
What are the key properties of N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)oxan-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55066038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).