N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine

C12H26N2O — CID 64708050

IUPACN-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine
SMILESCNC(C)CC(C)N1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-10(13-4)8-11(2)14-6-5-7-15-12(3)9-14/h10-13H,5-9H2,1-4H3
InChIKeyOIKFACTYGSVUKY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.48
Rot. Bonds4

About N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine

N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine (PubChem CID 64708050) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine
PubChem CID64708050
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine
SMILESCNC(C)CC(C)N1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-10(13-4)8-11(2)14-6-5-7-15-12(3)9-14/h10-13H,5-9H2,1-4H3
InChIKeyOIKFACTYGSVUKY-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-1,4-oxazepan-4-yl)-N-propan-2-ylbutan-1-amine
CID 62974621
N-methyl-4-pyrrolidin-1-ylpentan-2-amine
CID 64709027
3-(2-methyl-1,4-oxazepan-4-yl)butanenitrile
CID 62988698
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylpentan-2-amine
CID 64707188
2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol
CID 64789711
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 81019358
N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine
CID 79409708
2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
CID 64866930
4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62439294
3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol
CID 114357158
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanenitrile
CID 64727317

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine?
The IUPAC name of N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine (CID 64708050) is N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine?
The canonical SMILES for N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine is CNC(C)CC(C)N1CCCOC(C)C1.
What is the InChIKey of N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine?
The InChIKey is OIKFACTYGSVUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(13-4)8-11(2)14-6-5-7-15-12(3)9-14/h10-13H,5-9H2,1-4H3.
What are the key properties of N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine?
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine is sourced from PubChem (CID 64708050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).