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

C13H28N2O — CID 62987110

IUPACN-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
SMILESCCNC(C)CCCCN1CCCOCC1
InChIInChI=1S/C13H28N2O/c1-3-14-13(2)7-4-5-8-15-9-6-11-16-12-10-15/h13-14H,3-12H2,1-2H3
InChIKeyOHHDXYXWWOOCGR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

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

N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine (PubChem CID 62987110) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
PubChem CID62987110
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
SMILESCCNC(C)CCCCN1CCCOCC1
InChIInChI=1S/C13H28N2O/c1-3-14-13(2)7-4-5-8-15-9-6-11-16-12-10-15/h13-14H,3-12H2,1-2H3
InChIKeyOHHDXYXWWOOCGR-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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-4-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987293
N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
CID 62987109
4-hexyl-1,4-oxazepane
CID 166849903
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylhexan-2-amine
CID 63151140
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426
4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
CID 63207050
4-(4-methylnonyl)morpholine
CID 170444016
1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine
CID 62988157
3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol
CID 64897760
1-ethyl-3-heptan-2-yl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111195537
4-(1,4-oxazepan-4-yl)-2-(propylamino)butanoic acid
CID 55142794

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine?
The IUPAC name of N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine (CID 62987110) is N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine.
What is the SMILES notation for N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine?
The canonical SMILES for N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine is CCNC(C)CCCCN1CCCOCC1.
What is the InChIKey of N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine?
The InChIKey is OHHDXYXWWOOCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-14-13(2)7-4-5-8-15-9-6-11-16-12-10-15/h13-14H,3-12H2,1-2H3.
What are the key properties of N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine?
N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine is sourced from PubChem (CID 62987110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).