6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine

C10H18ClN — CID 90155657

IUPAC6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine
SMILESCC1C(N)CC2CC1C2(C)CCl
InChIInChI=1S/C10H18ClN/c1-6-8-3-7(4-9(6)12)10(8,2)5-11/h6-9H,3-5,12H2,1-2H3
InChIKeyHEGBNRWMXVQGET-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.23
Rot. Bonds1

About 6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine

6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine (PubChem CID 90155657) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine
PubChem CID90155657
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine
SMILESCC1C(N)CC2CC1C2(C)CCl
InChIInChI=1S/C10H18ClN/c1-6-8-3-7(4-9(6)12)10(8,2)5-11/h6-9H,3-5,12H2,1-2H3
InChIKeyHEGBNRWMXVQGET-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine
CID 124915343
(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane
CID 158391246
[(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
CID 67232742
(1S,3S,5R)-6,6-dimethyl-3-propylbicyclo[3.1.1]heptan-2-amine
CID 58974255
3-(chloromethoxy)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 22117966
2-[(1S,2S,3S,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 15450538
(1R,2R,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 102130555
(1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 67232659
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
5-ethyl-2,3,4-trimethylcyclohexan-1-amine
CID 144529983
[(Z)-3-chloroprop-2-enyl]-bis[(1S,2R,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
CID 100920086

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine?
The IUPAC name of 6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine (CID 90155657) is 6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for 6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for 6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine is CC1C(N)CC2CC1C2(C)CCl.
What is the InChIKey of 6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine?
The InChIKey is HEGBNRWMXVQGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN/c1-6-8-3-7(4-9(6)12)10(8,2)5-11/h6-9H,3-5,12H2,1-2H3.
What are the key properties of 6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine?
6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine has a molecular weight of 187.71 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,6-dimethylbicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 90155657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).