(3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride

C17H33Cl2N3O — CID 119899828

IUPAC(3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)C2CCCC(N)C2)C2(CCCCC2)C1.Cl.Cl
InChIInChI=1S/C17H31N3O.2ClH/c1-19-10-11-20(17(13-19)8-3-2-4-9-17)16(21)14-6-5-7-15(18)12-14;;/h14-15H,2-13,18H2,1H3;2*1H
InChIKeyGRYBNHFLGPUILS-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.82
Rot. Bonds1

About (3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride

(3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride (PubChem CID 119899828) has the molecular formula C17H33Cl2N3O and a molecular weight of 366.38 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
PubChem CID119899828
Molecular FormulaC17H33Cl2N3O
Molecular Weight366.38 g/mol
Exact Mass365.20
IUPAC Name(3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)C2CCCC(N)C2)C2(CCCCC2)C1.Cl.Cl
InChIInChI=1S/C17H31N3O.2ClH/c1-19-10-11-20(17(13-19)8-3-2-4-9-17)16(21)14-6-5-7-15(18)12-14;;/h14-15H,2-13,18H2,1H3;2*1H
InChIKeyGRYBNHFLGPUILS-UHFFFAOYSA-N
XLogP2.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride with MolForge

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Related Compounds

(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone
CID 119899813
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
4-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride
CID 119899862
(3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119766741
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
2-amino-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)pentan-1-one
CID 119899825
3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868631
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105
4-(methylamino)-1-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)butan-1-one;dihydrochloride
CID 119899820

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride?
The IUPAC name of (3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride (CID 119899828) is (3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride is CN1CCN(C(=O)C2CCCC(N)C2)C2(CCCCC2)C1.Cl.Cl.
What is the InChIKey of (3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride?
The InChIKey is GRYBNHFLGPUILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O.2ClH/c1-19-10-11-20(17(13-19)8-3-2-4-9-17)16(21)14-6-5-7-15(18)12-14;;/h14-15H,2-13,18H2,1H3;2*1H.
What are the key properties of (3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride?
(3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride has a molecular weight of 366.38 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119899828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).