2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine

C17H34N2O2 — CID 63741753

IUPAC2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN2CCCOC(C)C2)CCCOC1
InChIInChI=1S/C17H34N2O2/c1-15(2)10-18-12-17(6-4-8-20-14-17)13-19-7-5-9-21-16(3)11-19/h15-16,18H,4-14H2,1-3H3
InChIKeyRLOJYVNDAWFSCN-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.14
Rot. Bonds6

About 2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine

2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine (PubChem CID 63741753) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
PubChem CID63741753
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN2CCCOC(C)C2)CCCOC1
InChIInChI=1S/C17H34N2O2/c1-15(2)10-18-12-17(6-4-8-20-14-17)13-19-7-5-9-21-16(3)11-19/h15-16,18H,4-14H2,1-3H3
InChIKeyRLOJYVNDAWFSCN-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 55243009
1-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]piperidin-3-ol
CID 62261044
N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62974429
2-methyl-N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63740980
[4-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]morpholin-2-yl]methanol
CID 81214333
2-methyl-N-[[3-[(4-methyl-1,4-diazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261940
N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine
CID 104960751
N-[[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62258812
N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine
CID 62973523
2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine
CID 62973749
N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740115
3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
CID 114682063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine (CID 63741753) is 2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine is CC(C)CNCC1(CN2CCCOC(C)C2)CCCOC1.
What is the InChIKey of 2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
The InChIKey is RLOJYVNDAWFSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-15(2)10-18-12-17(6-4-8-20-14-17)13-19-7-5-9-21-16(3)11-19/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine has a molecular weight of 298.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63741753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).