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

C8H16ClN — CID 138991134

IUPAC(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCN[C@@H]1C[C@@H]2CC[C@H]1C2.Cl
InChIInChI=1S/C8H15N.ClH/c1-9-8-5-6-2-3-7(8)4-6;/h6-9H,2-5H2,1H3;1H/t6-,7+,8-;/m1./s1
InChIKeyNGQMCJXJNPZWGI-ARIDFIBWSA-N
MW161.68 g/mol
LogP1.82
Rot. Bonds1

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

(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride (PubChem CID 138991134) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is (1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride.

Molecular Properties

Compound Name(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
PubChem CID138991134
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCN[C@@H]1C[C@@H]2CC[C@H]1C2.Cl
InChIInChI=1S/C8H15N.ClH/c1-9-8-5-6-2-3-7(8)4-6;/h6-9H,2-5H2,1H3;1H/t6-,7+,8-;/m1./s1
InChIKeyNGQMCJXJNPZWGI-ARIDFIBWSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methylbicyclo[3.1.1]heptan-2-amine
CID 84647867
N-fluorobicyclo[2.2.1]heptan-2-amine
CID 123516667
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-methylthiourea
CID 98080408
N-methyltricyclo[8.3.1.13,7]pentadecan-4-amine
CID 155073643
N,7-dimethylbicyclo[3.3.1]nonan-2-amine
CID 88999597
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 124526685
N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 115892511
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide
CID 55287804
N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267050
N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
CID 61308965

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The IUPAC name of (1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride (CID 138991134) is (1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride.
What is the SMILES notation for (1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The canonical SMILES for (1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride is CN[C@@H]1C[C@@H]2CC[C@H]1C2.Cl.
What is the InChIKey of (1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The InChIKey is NGQMCJXJNPZWGI-ARIDFIBWSA-N. The full InChI is InChI=1S/C8H15N.ClH/c1-9-8-5-6-2-3-7(8)4-6;/h6-9H,2-5H2,1H3;1H/t6-,7+,8-;/m1./s1.
What are the key properties of (1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride has a molecular weight of 161.68 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride is sourced from PubChem (CID 138991134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).