N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine

C12H22N2 — CID 164658812

IUPACN-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine
SMILESC1CCC2(C1)CCC2NCC1CCN1
InChIInChI=1S/C12H22N2/c1-2-6-12(5-1)7-3-11(12)14-9-10-4-8-13-10/h10-11,13-14H,1-9H2
InChIKeyQAASDEMCQYUDMG-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.66
Rot. Bonds3

About N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine

N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine (PubChem CID 164658812) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine.

Molecular Properties

Compound NameN-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine
PubChem CID164658812
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine
SMILESC1CCC2(C1)CCC2NCC1CCN1
InChIInChI=1S/C12H22N2/c1-2-6-12(5-1)7-3-11(12)14-9-10-4-8-13-10/h10-11,13-14H,1-9H2
InChIKeyQAASDEMCQYUDMG-UHFFFAOYSA-N
XLogP1.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine
CID 102951540
N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
N-(2-fluoroethyl)spiro[3.5]nonan-3-amine
CID 130503965
N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine
CID 128875139
N-but-3-ynylspiro[3.5]nonan-3-amine
CID 102951944
(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine
CID 164658810
N-methylspiro[3.5]nonan-3-amine
CID 102951104
N-[(3-methyloxetan-3-yl)methyl]spiro[3.5]nonan-3-amine
CID 102952093
3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102952410
N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine
CID 102951932
4-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102951974
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine?
The IUPAC name of N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine (CID 164658812) is N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine.
What is the SMILES notation for N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine?
The canonical SMILES for N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine is C1CCC2(C1)CCC2NCC1CCN1.
What is the InChIKey of N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine?
The InChIKey is QAASDEMCQYUDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-6-12(5-1)7-3-11(12)14-9-10-4-8-13-10/h10-11,13-14H,1-9H2.
What are the key properties of N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine?
N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine is sourced from PubChem (CID 164658812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).