2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

C17H34N2O — CID 63624853

IUPAC2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC1CCCN(CC2(CNC(C)(C)C)CCOC2)CC1
InChIInChI=1S/C17H34N2O/c1-15-6-5-9-19(10-7-15)13-17(8-11-20-14-17)12-18-16(2,3)4/h15,18H,5-14H2,1-4H3
InChIKeyMWEARGZUBXOXRA-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds4

About 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 63624853) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID63624853
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC1CCCN(CC2(CNC(C)(C)C)CCOC2)CC1
InChIInChI=1S/C17H34N2O/c1-15-6-5-9-19(10-7-15)13-17(8-11-20-14-17)12-18-16(2,3)4/h15,18H,5-14H2,1-4H3
InChIKeyMWEARGZUBXOXRA-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 63624853) is 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is CC1CCCN(CC2(CNC(C)(C)C)CCOC2)CC1.
What is the InChIKey of 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is MWEARGZUBXOXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15-6-5-9-19(10-7-15)13-17(8-11-20-14-17)12-18-16(2,3)4/h15,18H,5-14H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63624853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).