(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride

C8H16ClN — CID 178190368

IUPAC(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESC[C@]1(N)C[C@H]2CC[C@@H]1C2.Cl
InChIInChI=1S/C8H15N.ClH/c1-8(9)5-6-2-3-7(8)4-6;/h6-7H,2-5,9H2,1H3;1H/t6-,7+,8-;/m0./s1
InChIKeyBCAGEPGPDGYCSM-CZEXFEQNSA-N
MW161.68 g/mol
LogP1.95
Rot. Bonds

About (1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride

(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride (PubChem CID 178190368) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is (1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
PubChem CID178190368
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESC[C@]1(N)C[C@H]2CC[C@@H]1C2.Cl
InChIInChI=1S/C8H15N.ClH/c1-8(9)5-6-2-3-7(8)4-6;/h6-7H,2-5,9H2,1H3;1H/t6-,7+,8-;/m0./s1
InChIKeyBCAGEPGPDGYCSM-CZEXFEQNSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889497
(2R)-2-methylbicyclo[3.1.1]heptan-2-amine
CID 55290522
(2S)-2-(aminomethyl)bicyclo[2.2.1]heptan-2-amine;platinum(2+);dichloride
CID 11742035
ethyl 2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate
CID 14958327
2-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119
1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 98050178
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 65019888
6',6'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane]
CID 20680012

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The IUPAC name of (1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride (CID 178190368) is (1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride.
What is the SMILES notation for (1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The canonical SMILES for (1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride is C[C@]1(N)C[C@H]2CC[C@@H]1C2.Cl.
What is the InChIKey of (1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The InChIKey is BCAGEPGPDGYCSM-CZEXFEQNSA-N. The full InChI is InChI=1S/C8H15N.ClH/c1-8(9)5-6-2-3-7(8)4-6;/h6-7H,2-5,9H2,1H3;1H/t6-,7+,8-;/m0./s1.
What are the key properties of (1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride has a molecular weight of 161.68 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride is sourced from PubChem (CID 178190368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).