3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine

C16H32N2 — CID 79050954

IUPAC3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine
SMILESCNC(CC1CCC1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H32N2/c1-16(2,18-11-6-4-5-7-12-18)15(17-3)13-14-9-8-10-14/h14-15,17H,4-13H2,1-3H3
InChIKeyLXOMNPFWRJZWMF-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds5

About 3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine

3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine (PubChem CID 79050954) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine
PubChem CID79050954
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine
SMILESCNC(CC1CCC1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H32N2/c1-16(2,18-11-6-4-5-7-12-18)15(17-3)13-14-9-8-10-14/h14-15,17H,4-13H2,1-3H3
InChIKeyLXOMNPFWRJZWMF-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 79045410
[3-(azepan-1-yl)-1-cyclobutyl-3-methylbutan-2-yl]hydrazine
CID 105240360
N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79055647
(1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-yl)hydrazine
CID 105239761
1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79067520
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056065
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79561099
1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79055721
1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79044925
N,2,7-trimethyl-2-piperidin-1-yloctan-3-amine
CID 83161164
2-(azepan-1-yl)-N,2,6,6-tetramethylheptan-3-amine
CID 79052542

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine?
The IUPAC name of 3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine (CID 79050954) is 3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine?
The canonical SMILES for 3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine is CNC(CC1CCC1)C(C)(C)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine?
The InChIKey is LXOMNPFWRJZWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2,18-11-6-4-5-7-12-18)15(17-3)13-14-9-8-10-14/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine?
3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 79050954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).