3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride

C12H25ClN2 — CID 2750662

IUPAC3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride
SMILESCN(C)C1C2CCC(C)(C1N)C2(C)C.Cl
InChIInChI=1S/C12H24N2.ClH/c1-11(2)8-6-7-12(11,3)10(13)9(8)14(4)5;/h8-10H,6-7,13H2,1-5H3;1H
InChIKeyNDJAWVWQXNEKIS-UHFFFAOYSA-N
MW232.80 g/mol
LogP2.12
Rot. Bonds1

About 3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride

3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride (PubChem CID 2750662) has the molecular formula C12H25ClN2 and a molecular weight of 232.80 g/mol. Its IUPAC name is 3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride.

Molecular Properties

Compound Name3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride
PubChem CID2750662
Molecular FormulaC12H25ClN2
Molecular Weight232.80 g/mol
Exact Mass232.17
IUPAC Name3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride
SMILESCN(C)C1C2CCC(C)(C1N)C2(C)C.Cl
InChIInChI=1S/C12H24N2.ClH/c1-11(2)8-6-7-12(11,3)10(13)9(8)14(4)5;/h8-10H,6-7,13H2,1-5H3;1H
InChIKeyNDJAWVWQXNEKIS-UHFFFAOYSA-N
XLogP2.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.80
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride?
The IUPAC name of 3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride (CID 2750662) is 3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride.
What is the SMILES notation for 3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride?
The canonical SMILES for 3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride is CN(C)C1C2CCC(C)(C1N)C2(C)C.Cl.
What is the InChIKey of 3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride?
The InChIKey is NDJAWVWQXNEKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.ClH/c1-11(2)8-6-7-12(11,3)10(13)9(8)14(4)5;/h8-10H,6-7,13H2,1-5H3;1H.
What are the key properties of 3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride?
3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride has a molecular weight of 232.80 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride is sourced from PubChem (CID 2750662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).