(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride

C10H20ClN — CID 44717056

IUPAC(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCC1(C)C2CC[C@@]1(C)C(N)C2.Cl
InChIInChI=1S/C10H19N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8H,4-6,11H2,1-3H3;1H/t7?,8?,10-;/m0./s1
InChIKeyXVVITZVHMWAHIG-NOXKLTGNSA-N
MW189.73 g/mol
LogP2.58
Rot. Bonds

About (1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride

(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride (PubChem CID 44717056) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is (1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
PubChem CID44717056
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCC1(C)C2CC[C@@]1(C)C(N)C2.Cl
InChIInChI=1S/C10H19N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8H,4-6,11H2,1-3H3;1H/t7?,8?,10-;/m0./s1
InChIKeyXVVITZVHMWAHIG-NOXKLTGNSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-1-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]hydrazine
CID 129463430
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
CID 130854529
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
(1R)-1-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 127035578
(1R)-1-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129408851
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
(2S)-N,N,1,7,7-pentamethylbicyclo[2.2.1]heptan-2-amine
CID 59880501
(1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol
CID 101188947
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
(1S,4S)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46855987
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride
CID 127035477
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091

Frequently Asked Questions

What is the IUPAC name of (1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The IUPAC name of (1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride (CID 44717056) is (1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride.
What is the SMILES notation for (1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The canonical SMILES for (1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride is CC1(C)C2CC[C@@]1(C)C(N)C2.Cl.
What is the InChIKey of (1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The InChIKey is XVVITZVHMWAHIG-NOXKLTGNSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8H,4-6,11H2,1-3H3;1H/t7?,8?,10-;/m0./s1.
What are the key properties of (1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride is sourced from PubChem (CID 44717056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).