1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine

C15H28N2 — CID 83983575

IUPAC1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CC1CCC2C3CCN(CC3)C12
InChIInChI=1S/C15H28N2/c1-10(2)14(16)9-12-3-4-13-11-5-7-17(8-6-11)15(12)13/h10-15H,3-9,16H2,1-2H3
InChIKeyVZKPJBXSSKAGED-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.48
Rot. Bonds3

About 1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine

1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine (PubChem CID 83983575) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine
PubChem CID83983575
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CC1CCC2C3CCN(CC3)C12
InChIInChI=1S/C15H28N2/c1-10(2)14(16)9-12-3-4-13-11-5-7-17(8-6-11)15(12)13/h10-15H,3-9,16H2,1-2H3
InChIKeyVZKPJBXSSKAGED-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine
CID 83986048
3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine
CID 83983005
3-methyl-1-(1-methylpiperidin-2-yl)butan-2-amine
CID 83982236
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate
CID 83985995
1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine
CID 83982203
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylbutan-2-amine
CID 43620484
(2S)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-methylbutan-2-amine
CID 124552270
1-(1-azatricyclo[5.2.2.02,6]undecan-4-yl)butan-2-amine
CID 83983513
1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891
1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine
CID 104575536
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine
CID 116941732

Frequently Asked Questions

What is the IUPAC name of 1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine?
The IUPAC name of 1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine (CID 83983575) is 1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine is CC(C)C(N)CC1CCC2C3CCN(CC3)C12.
What is the InChIKey of 1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine?
The InChIKey is VZKPJBXSSKAGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-10(2)14(16)9-12-3-4-13-11-5-7-17(8-6-11)15(12)13/h10-15H,3-9,16H2,1-2H3.
What are the key properties of 1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine?
1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine has a molecular weight of 236.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azatricyclo[5.2.2.02,6]undecan-3-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 83983575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).