3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine

C10H16ClN — CID 170394374

IUPAC3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine
SMILESCC12CCC(C(Cl)=C1N)C2(C)C
InChIInChI=1S/C10H16ClN/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5,12H2,1-3H3
InChIKeyPCAVPIABEZGQBM-UHFFFAOYSA-N
MW185.70 g/mol
LogP2.85
Rot. Bonds

About 3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine

3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine (PubChem CID 170394374) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is 3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine.

Molecular Properties

Compound Name3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine
PubChem CID170394374
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine
SMILESCC12CCC(C(Cl)=C1N)C2(C)C
InChIInChI=1S/C10H16ClN/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5,12H2,1-3H3
InChIKeyPCAVPIABEZGQBM-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4S)-1,7,7-trimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane
CID 101254868
(1S,3Z,4S)-3-(aminomethylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 98102644
1,8,8-trimethylbicyclo[3.2.1]octane-2,3,4-trione
CID 13087895
(1R,3S,4S)-3-chloro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 76963025
(1R,3Z,4R)-1,7,7-trimethyl-3-[(2Z)-2-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethylidene]bicyclo[2.2.1]heptan-2-one
CID 98103030
(1R,12S)-6,7-dichloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
CID 91028007
(1R,12S)-7-chloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
CID 7831489
(3E)-3-ethylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 59931498
(1S,3Z,4R)-3-ethylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 7158988
(1S,5R)-3,3-dibromo-1,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione
CID 7054424
(1S,3E,4S)-3-(hydroxymethylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 98129061
1-[(1R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]ethanone
CID 23309151

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine?
The IUPAC name of 3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine (CID 170394374) is 3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine.
What is the SMILES notation for 3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine?
The canonical SMILES for 3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine is CC12CCC(C(Cl)=C1N)C2(C)C.
What is the InChIKey of 3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine?
The InChIKey is PCAVPIABEZGQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5,12H2,1-3H3.
What are the key properties of 3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine?
3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine has a molecular weight of 185.70 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-amine is sourced from PubChem (CID 170394374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).