N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine

C18H34N2O — CID 82751348

IUPACN-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(CN2CCC3CCCCC32)O1
InChIInChI=1S/C18H34N2O/c1-14(2)11-19-12-16-7-8-17(21-16)13-20-10-9-15-5-3-4-6-18(15)20/h14-19H,3-13H2,1-2H3
InChIKeyMYXMYSKKHJKIEV-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.04
Rot. Bonds6

About N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82751348) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID82751348
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(CN2CCC3CCCCC32)O1
InChIInChI=1S/C18H34N2O/c1-14(2)11-19-12-16-7-8-17(21-16)13-20-10-9-15-5-3-4-6-18(15)20/h14-19H,3-13H2,1-2H3
InChIKeyMYXMYSKKHJKIEV-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine (CID 82751348) is N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(CN2CCC3CCCCC32)O1.
What is the InChIKey of N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is MYXMYSKKHJKIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-14(2)11-19-12-16-7-8-17(21-16)13-20-10-9-15-5-3-4-6-18(15)20/h14-19H,3-13H2,1-2H3.
What are the key properties of N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82751348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).