2-cyclobutyl-1-cycloheptylethanamine

C13H25N — CID 65457005

IUPAC2-cyclobutyl-1-cycloheptylethanamine
SMILESNC(CC1CCC1)C1CCCCCC1
InChIInChI=1S/C13H25N/c14-13(10-11-6-5-7-11)12-8-3-1-2-4-9-12/h11-13H,1-10,14H2
InChIKeyXXJNIIYWKFZSAU-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.47
Rot. Bonds3

About 2-cyclobutyl-1-cycloheptylethanamine

2-cyclobutyl-1-cycloheptylethanamine (PubChem CID 65457005) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-cyclobutyl-1-cycloheptylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-cycloheptylethanamine
PubChem CID65457005
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-cyclobutyl-1-cycloheptylethanamine
SMILESNC(CC1CCC1)C1CCCCCC1
InChIInChI=1S/C13H25N/c14-13(10-11-6-5-7-11)12-8-3-1-2-4-9-12/h11-13H,1-10,14H2
InChIKeyXXJNIIYWKFZSAU-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
1,2-di(cyclobutyl)ethanamine
CID 65456758
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
2-cyclohexyl-1-(4-ethylcyclohexyl)ethanamine
CID 65394351
(1-cyclobutyl-2-cycloheptylethyl)hydrazine
CID 105340070
1,2-dicyclohexylethylcyclohexane
CID 158413043
(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine
CID 141086747
4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride
CID 174274064
2-cyclopentyl-1-(4-propylcyclohexyl)ethanamine
CID 65424909
(1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane
CID 174717926

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-cycloheptylethanamine?
The IUPAC name of 2-cyclobutyl-1-cycloheptylethanamine (CID 65457005) is 2-cyclobutyl-1-cycloheptylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-cycloheptylethanamine?
The canonical SMILES for 2-cyclobutyl-1-cycloheptylethanamine is NC(CC1CCC1)C1CCCCCC1.
What is the InChIKey of 2-cyclobutyl-1-cycloheptylethanamine?
The InChIKey is XXJNIIYWKFZSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c14-13(10-11-6-5-7-11)12-8-3-1-2-4-9-12/h11-13H,1-10,14H2.
What are the key properties of 2-cyclobutyl-1-cycloheptylethanamine?
2-cyclobutyl-1-cycloheptylethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-cycloheptylethanamine is sourced from PubChem (CID 65457005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).