N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

C17H35NO — CID 55219075

IUPACN-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C17H35NO/c1-6-8-9-15(7-2)12-17(10-11-19-14-17)13-18-16(3,4)5/h15,18H,6-14H2,1-5H3
InChIKeyGNJNLIQOBQLUSM-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds8

About N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55219075) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID55219075
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C17H35NO/c1-6-8-9-15(7-2)12-17(10-11-19-14-17)13-18-16(3,4)5/h15,18H,6-14H2,1-5H3
InChIKeyGNJNLIQOBQLUSM-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 55219075) is N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is CCCCC(CC)CC1(CNC(C)(C)C)CCOC1.
What is the InChIKey of N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GNJNLIQOBQLUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-8-9-15(7-2)12-17(10-11-19-14-17)13-18-16(3,4)5/h15,18H,6-14H2,1-5H3.
What are the key properties of N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55219075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).