N-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

C16H32N2O — CID 55051370

IUPACN-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN2CCCCCC2)CCOC1
InChIInChI=1S/C16H32N2O/c1-15(2)11-17-12-16(7-10-19-14-16)13-18-8-5-3-4-6-9-18/h15,17H,3-14H2,1-2H3
InChIKeyLYSPZOUXAGRJOV-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds6

About N-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55051370) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID55051370
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN2CCCCCC2)CCOC1
InChIInChI=1S/C16H32N2O/c1-15(2)11-17-12-16(7-10-19-14-16)13-18-8-5-3-4-6-9-18/h15,17H,3-14H2,1-2H3
InChIKeyLYSPZOUXAGRJOV-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
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-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 55051370) is N-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(CN2CCCCCC2)CCOC1.
What is the InChIKey of N-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LYSPZOUXAGRJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2)11-17-12-16(7-10-19-14-16)13-18-8-5-3-4-6-9-18/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 268.44 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-[[3-(azepan-1-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55051370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).