N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine

C12H26N2O — CID 62987109

IUPACN-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
SMILESCNC(C)CCCCN1CCCOCC1
InChIInChI=1S/C12H26N2O/c1-12(13-2)6-3-4-7-14-8-5-10-15-11-9-14/h12-13H,3-11H2,1-2H3
InChIKeyOMEHWSMPDYXXDG-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine

N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine (PubChem CID 62987109) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine.

Molecular Properties

Compound NameN-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
PubChem CID62987109
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
SMILESCNC(C)CCCCN1CCCOCC1
InChIInChI=1S/C12H26N2O/c1-12(13-2)6-3-4-7-14-8-5-10-15-11-9-14/h12-13H,3-11H2,1-2H3
InChIKeyOMEHWSMPDYXXDG-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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

N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
CID 62987110
N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine
CID 63169704
N-ethyl-4-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987293
4-hexyl-1,4-oxazepane
CID 166849903
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine
CID 62886982
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105
3-(1,4-oxazepan-4-yl)propan-1-amine
CID 59833420
2-(methylamino)-4-morpholin-4-ylbutanoic acid
CID 63029138
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426
4-(3-methylbutyl)morpholine;2-[4-(3-methylbutyl)piperazin-1-yl]ethanol;4-(5-methylhexyl)morpholine;2-[4-(5-methylhexyl)piperazin-1-yl]ethanol;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(5-methylhexyl)piperazine;1-methyl-4-(4-methylpentyl)piperazine;4-(4-methylpentyl)morpholine;2-[4-(4-methylpentyl)piperazin-1-yl]ethanol
CID 160974894
2-methyl-1-(5-methylhexyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111580092
2-methyl-2-(methylamino)-6-(1,4-oxazepan-4-yl)hexanoic acid
CID 62972427

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine?
The IUPAC name of N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine (CID 62987109) is N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine.
What is the SMILES notation for N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine?
The canonical SMILES for N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine is CNC(C)CCCCN1CCCOCC1.
What is the InChIKey of N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine?
The InChIKey is OMEHWSMPDYXXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(13-2)6-3-4-7-14-8-5-10-15-11-9-14/h12-13H,3-11H2,1-2H3.
What are the key properties of N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine?
N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine is sourced from PubChem (CID 62987109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).