3-(azocan-1-yl)cyclobutan-1-amine

C11H22N2 — CID 80561417

IUPAC3-(azocan-1-yl)cyclobutan-1-amine
SMILESNC1CC(N2CCCCCCC2)C1
InChIInChI=1S/C11H22N2/c12-10-8-11(9-10)13-6-4-2-1-3-5-7-13/h10-11H,1-9,12H2
InChIKeyGMOUNSCGTCBFRP-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.74
Rot. Bonds1

About 3-(azocan-1-yl)cyclobutan-1-amine

3-(azocan-1-yl)cyclobutan-1-amine (PubChem CID 80561417) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(azocan-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(azocan-1-yl)cyclobutan-1-amine
PubChem CID80561417
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-(azocan-1-yl)cyclobutan-1-amine
SMILESNC1CC(N2CCCCCCC2)C1
InChIInChI=1S/C11H22N2/c12-10-8-11(9-10)13-6-4-2-1-3-5-7-13/h10-11H,1-9,12H2
InChIKeyGMOUNSCGTCBFRP-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azonan-1-yl)cyclobutan-1-amine
CID 130631518
4-(azepan-1-yl)cyclohexan-1-amine
CID 62807611
(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 12783916
(2R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 51670154
3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine
CID 80561615
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-amine
CID 62806389
4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 119057158
3-(3,3-dimethylpiperidin-1-yl)cyclobutan-1-amine
CID 80561996
1-cyclopropylpiperidine
CID 10909573
[1-(3-aminocyclobutyl)piperidin-4-yl]methanol
CID 80561474
2-(azepan-1-yl)cyclopropan-1-amine
CID 79671286
1-cyclooctylpyrrolidine
CID 23277874

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-(azocan-1-yl)cyclobutan-1-amine (CID 80561417) is 3-(azocan-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(azocan-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(azocan-1-yl)cyclobutan-1-amine is NC1CC(N2CCCCCCC2)C1.
What is the InChIKey of 3-(azocan-1-yl)cyclobutan-1-amine?
The InChIKey is GMOUNSCGTCBFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c12-10-8-11(9-10)13-6-4-2-1-3-5-7-13/h10-11H,1-9,12H2.
What are the key properties of 3-(azocan-1-yl)cyclobutan-1-amine?
3-(azocan-1-yl)cyclobutan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 80561417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).