6-(azepan-1-yl)hexan-3-amine

C12H26N2 — CID 106799199

IUPAC6-(azepan-1-yl)hexan-3-amine
SMILESCCC(N)CCCN1CCCCCC1
InChIInChI=1S/C12H26N2/c1-2-12(13)8-7-11-14-9-5-3-4-6-10-14/h12H,2-11,13H2,1H3
InChIKeyLGGFGBRYXXTFQQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds5

About 6-(azepan-1-yl)hexan-3-amine

6-(azepan-1-yl)hexan-3-amine (PubChem CID 106799199) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 6-(azepan-1-yl)hexan-3-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)hexan-3-amine
PubChem CID106799199
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name6-(azepan-1-yl)hexan-3-amine
SMILESCCC(N)CCCN1CCCCCC1
InChIInChI=1S/C12H26N2/c1-2-12(13)8-7-11-14-9-5-3-4-6-10-14/h12H,2-11,13H2,1H3
InChIKeyLGGFGBRYXXTFQQ-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-piperidin-1-ylhexan-3-amine
CID 106799210
6-(4-propan-2-ylpiperidin-1-yl)hexan-3-amine
CID 106800167
6-(4-ethylpiperidin-1-yl)hexan-3-amine
CID 106799490
6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
CID 106799763
1-hexylpyrrolidine;propan-2-amine
CID 166169325
1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine
CID 81189963
1-(4-pentylnonyl)piperidine
CID 68557490
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-decylpiperidine
CID 4649960
6-(2-ethylpiperidin-1-yl)hexan-3-amine
CID 106799316
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)hexan-3-amine?
The IUPAC name of 6-(azepan-1-yl)hexan-3-amine (CID 106799199) is 6-(azepan-1-yl)hexan-3-amine.
What is the SMILES notation for 6-(azepan-1-yl)hexan-3-amine?
The canonical SMILES for 6-(azepan-1-yl)hexan-3-amine is CCC(N)CCCN1CCCCCC1.
What is the InChIKey of 6-(azepan-1-yl)hexan-3-amine?
The InChIKey is LGGFGBRYXXTFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-2-12(13)8-7-11-14-9-5-3-4-6-10-14/h12H,2-11,13H2,1H3.
What are the key properties of 6-(azepan-1-yl)hexan-3-amine?
6-(azepan-1-yl)hexan-3-amine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)hexan-3-amine is sourced from PubChem (CID 106799199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).