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

C17H34N2O — CID 63623220

IUPAC2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN2CCCC(C)CC2)CCOC1
InChIInChI=1S/C17H34N2O/c1-15(2)11-18-12-17(7-10-20-14-17)13-19-8-4-5-16(3)6-9-19/h15-16,18H,4-14H2,1-3H3
InChIKeyWOGUBVPFSNSMIG-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.76
Rot. Bonds6

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

2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 63623220) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID63623220
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-1-amine
SMILESCC(C)CNCC1(CN2CCCC(C)CC2)CCOC1
InChIInChI=1S/C17H34N2O/c1-15(2)11-18-12-17(7-10-20-14-17)13-19-8-4-5-16(3)6-9-19/h15-16,18H,4-14H2,1-3H3
InChIKeyWOGUBVPFSNSMIG-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.76
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-1-amine?
The IUPAC name of 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (CID 63623220) is 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine is CC(C)CNCC1(CN2CCCC(C)CC2)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is WOGUBVPFSNSMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)11-18-12-17(7-10-20-14-17)13-19-8-4-5-16(3)6-9-19/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.76, 6 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-1-amine is sourced from PubChem (CID 63623220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).