N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride

C9H18ClN — CID 138397495

IUPACN,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCNC1C2CCC(C2)C1C.Cl
InChIInChI=1S/C9H17N.ClH/c1-6-7-3-4-8(5-7)9(6)10-2;/h6-10H,3-5H2,1-2H3;1H
InChIKeyTUBQQBZJRAMREI-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.06
Rot. Bonds1

About N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride

N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride (PubChem CID 138397495) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride.

Molecular Properties

Compound NameN,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
PubChem CID138397495
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCNC1C2CCC(C2)C1C.Cl
InChIInChI=1S/C9H17N.ClH/c1-6-7-3-4-8(5-7)9(6)10-2;/h6-10H,3-5H2,1-2H3;1H
InChIKeyTUBQQBZJRAMREI-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The IUPAC name of N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride (CID 138397495) is N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride.
What is the SMILES notation for N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The canonical SMILES for N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride is CNC1C2CCC(C2)C1C.Cl.
What is the InChIKey of N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The InChIKey is TUBQQBZJRAMREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-6-7-3-4-8(5-7)9(6)10-2;/h6-10H,3-5H2,1-2H3;1H.
What are the key properties of N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride is sourced from PubChem (CID 138397495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).