1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine

C12H22N2 — CID 164648789

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine
SMILESCC1(N)CCN(C2CC3CCC2C3)C1
InChIInChI=1S/C12H22N2/c1-12(13)4-5-14(8-12)11-7-9-2-3-10(11)6-9/h9-11H,2-8,13H2,1H3
InChIKeyBTSWYKOYULSKCN-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.60
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine (PubChem CID 164648789) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine
PubChem CID164648789
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine
SMILESCC1(N)CCN(C2CC3CCC2C3)C1
InChIInChI=1S/C12H22N2/c1-12(13)4-5-14(8-12)11-7-9-2-3-10(11)6-9/h9-11H,2-8,13H2,1H3
InChIKeyBTSWYKOYULSKCN-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine (CID 164648789) is 1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine is CC1(N)CCN(C2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine?
The InChIKey is BTSWYKOYULSKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(13)4-5-14(8-12)11-7-9-2-3-10(11)6-9/h9-11H,2-8,13H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 164648789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).