6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine

C12H26N2O — CID 106799763

IUPAC6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
SMILESCCC(N)CCCN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-3-12(13)6-4-7-14-8-5-9-15-11(2)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyMRPNNLPLYJBCRL-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds5

About 6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine

6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine (PubChem CID 106799763) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine.

Molecular Properties

Compound Name6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
PubChem CID106799763
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
SMILESCCC(N)CCCN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-3-12(13)6-4-7-14-8-5-9-15-11(2)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyMRPNNLPLYJBCRL-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
CID 62986916
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
6-(azepan-1-yl)hexan-3-amine
CID 106799199
6-piperidin-1-ylhexan-3-amine
CID 106799210
N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine
CID 62967255
3-(aminomethyl)-6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-ol
CID 106811332
(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol
CID 130161382
N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 76979643
4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
CID 63583172
2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 63070656

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine?
The IUPAC name of 6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine (CID 106799763) is 6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine.
What is the SMILES notation for 6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine?
The canonical SMILES for 6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine is CCC(N)CCCN1CCCOC(C)C1.
What is the InChIKey of 6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine?
The InChIKey is MRPNNLPLYJBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-12(13)6-4-7-14-8-5-9-15-11(2)10-14/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine?
6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine is sourced from PubChem (CID 106799763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).