2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine

C17H36N2 — CID 83161902

IUPAC2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine
SMILESCNC(CCCC(C)C)C(C)(C)N1CCCCCC1
InChIInChI=1S/C17H36N2/c1-15(2)11-10-12-16(18-5)17(3,4)19-13-8-6-7-9-14-19/h15-16,18H,6-14H2,1-5H3
InChIKeyFUIVBGZXZZJLJJ-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds7

About 2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine

2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine (PubChem CID 83161902) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine
PubChem CID83161902
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine
SMILESCNC(CCCC(C)C)C(C)(C)N1CCCCCC1
InChIInChI=1S/C17H36N2/c1-15(2)11-10-12-16(18-5)17(3,4)19-13-8-6-7-9-14-19/h15-16,18H,6-14H2,1-5H3
InChIKeyFUIVBGZXZZJLJJ-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,7-trimethyl-2-piperidin-1-yloctan-3-amine
CID 83161164
N,2-dimethyl-2-piperidin-1-ylheptan-3-amine
CID 79045929
2-(azepan-1-yl)-N,2,6,6-tetramethylheptan-3-amine
CID 79052542
2-(azepan-1-yl)-N,2-dimethylhept-6-en-3-amine
CID 79050662
N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine
CID 79045179
(3,8-dimethyl-3-piperidin-1-ylnonan-4-yl)hydrazine
CID 105241424
N,3,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79065446
3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine
CID 79050954
1-cyclopentyl-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 79045410
N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
CID 79045571
N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine
CID 114530416
3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79561099

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine?
The IUPAC name of 2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine (CID 83161902) is 2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine?
The canonical SMILES for 2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine is CNC(CCCC(C)C)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine?
The InChIKey is FUIVBGZXZZJLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-15(2)11-10-12-16(18-5)17(3,4)19-13-8-6-7-9-14-19/h15-16,18H,6-14H2,1-5H3.
What are the key properties of 2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine?
2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine is sourced from PubChem (CID 83161902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).