(5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride

C13H20Cl2N2 — CID 155821438

IUPAC(5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCC1CC12CN(Cc1ccccc1)C2
InChIInChI=1S/C13H18N2.2ClH/c14-7-12-6-13(12)9-15(10-13)8-11-4-2-1-3-5-11;;/h1-5,12H,6-10,14H2;2*1H
InChIKeyLCZJUWKPPHAYFB-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.31
Rot. Bonds3

About (5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride

(5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride (PubChem CID 155821438) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is (5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride
PubChem CID155821438
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name(5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCC1CC12CN(Cc1ccccc1)C2
InChIInChI=1S/C13H18N2.2ClH/c14-7-12-6-13(12)9-15(10-13)8-11-4-2-1-3-5-11;;/h1-5,12H,6-10,14H2;2*1H
InChIKeyLCZJUWKPPHAYFB-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(8R)-6-benzyl-6-azaspiro[3.4]octan-8-yl]methanamine
CID 125424290
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401
2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 83825243
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
CID 57416961
[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
CID 124869781
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98160357
2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
CID 70113914
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(9-benzyl-1,9-diazaspiro[4.5]decan-4-yl)methanamine
CID 82623797

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride?
The IUPAC name of (5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride (CID 155821438) is (5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride is Cl.Cl.NCC1CC12CN(Cc1ccccc1)C2.
What is the InChIKey of (5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride?
The InChIKey is LCZJUWKPPHAYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.2ClH/c14-7-12-6-13(12)9-15(10-13)8-11-4-2-1-3-5-11;;/h1-5,12H,6-10,14H2;2*1H.
What are the key properties of (5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride?
(5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride has a molecular weight of 275.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 155821438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).