2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine

C16H32N2O2 — CID 62973926

IUPAC2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(CN2CCCOC(C)C2)O1
InChIInChI=1S/C16H32N2O2/c1-13(2)9-17-10-15-5-6-16(20-15)12-18-7-4-8-19-14(3)11-18/h13-17H,4-12H2,1-3H3
InChIKeyLLQQKACFQKKPMS-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.89
Rot. Bonds6

About 2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62973926) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID62973926
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(CN2CCCOC(C)C2)O1
InChIInChI=1S/C16H32N2O2/c1-13(2)9-17-10-15-5-6-16(20-15)12-18-7-4-8-19-14(3)11-18/h13-17H,4-12H2,1-3H3
InChIKeyLLQQKACFQKKPMS-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
CID 55140178
2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine
CID 62973749
[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
CID 62974112
2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106316749
N-[[5-(1,3-dihydroisoindol-2-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62438407
N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 82751348
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 63025503
2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62973579
N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62437899
3-methyl-2-(2-methylmorpholin-4-yl)-N-(2-methylpropyl)butan-1-amine
CID 62437434
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55070310
2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741753

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (CID 62973926) is 2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is CC(C)CNCC1CCC(CN2CCCOC(C)C2)O1.
What is the InChIKey of 2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is LLQQKACFQKKPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)9-17-10-15-5-6-16(20-15)12-18-7-4-8-19-14(3)11-18/h13-17H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 284.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62973926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).