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

C12H26N2O — CID 62973749

IUPAC2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-11(2)9-13-5-7-14-6-4-8-15-12(3)10-14/h11-13H,4-10H2,1-3H3
InChIKeyLFPBYRRMUYMOKY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

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

2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine (PubChem CID 62973749) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine
PubChem CID62973749
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-11(2)9-13-5-7-14-6-4-8-15-12(3)10-14/h11-13H,4-10H2,1-3H3
InChIKeyLFPBYRRMUYMOKY-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62966726
2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62973926
1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62967083
N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine
CID 62967255
2-(2-methyl-1,4-oxazepan-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62967779
2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
CID 138728370
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
CID 62986916
2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741753
2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62973579
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
4-(2-methylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine (CID 62973749) is 2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine is CC(C)CNCCN1CCCOC(C)C1.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine?
The InChIKey is LFPBYRRMUYMOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)9-13-5-7-14-6-4-8-15-12(3)10-14/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62973749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).