1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine

C19H34N2 — CID 79537148

IUPAC1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC12CCC(C1)C(C)(C)C2NC1CCCC1C1CCCN1
InChIInChI=1S/C19H34N2/c1-18(2)13-9-10-19(3,12-13)17(18)21-16-7-4-6-14(16)15-8-5-11-20-15/h13-17,20-21H,4-12H2,1-3H3
InChIKeyKVNJDVGYTDJWKP-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.71
Rot. Bonds3

About 1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine

1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 79537148) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID79537148
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC12CCC(C1)C(C)(C)C2NC1CCCC1C1CCCN1
InChIInChI=1S/C19H34N2/c1-18(2)13-9-10-19(3,12-13)17(18)21-16-7-4-6-14(16)15-8-5-11-20-15/h13-17,20-21H,4-12H2,1-3H3
InChIKeyKVNJDVGYTDJWKP-UHFFFAOYSA-N
XLogP3.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine (CID 79537148) is 1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine is CC12CCC(C1)C(C)(C)C2NC1CCCC1C1CCCN1.
What is the InChIKey of 1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is KVNJDVGYTDJWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-18(2)13-9-10-19(3,12-13)17(18)21-16-7-4-6-14(16)15-8-5-11-20-15/h13-17,20-21H,4-12H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine?
1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 290.50 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 79537148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).