(3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine

C21H30N4 — CID 70906595

IUPAC(3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine
SMILESCC1CC2CCC(C1)N2c1ccc(C(N[C@@H]2CCNC2)=C2CC2)cn1
InChIInChI=1S/C21H30N4/c1-14-10-18-5-6-19(11-14)25(18)20-7-4-16(12-23-20)21(15-2-3-15)24-17-8-9-22-13-17/h4,7,12,14,17-19,22,24H,2-3,5-6,8-11,13H2,1H3/t14?,17-,18?,19?/m1/s1
InChIKeyCIXUHRDCVTVBIL-UIOSHYFSSA-N
MW338.50 g/mol
LogP3.31
Rot. Bonds4

About (3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine

(3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine (PubChem CID 70906595) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is (3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine
PubChem CID70906595
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name(3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine
SMILESCC1CC2CCC(C1)N2c1ccc(C(N[C@@H]2CCNC2)=C2CC2)cn1
InChIInChI=1S/C21H30N4/c1-14-10-18-5-6-19(11-14)25(18)20-7-4-16(12-23-20)21(15-2-3-15)24-17-8-9-22-13-17/h4,7,12,14,17-19,22,24H,2-3,5-6,8-11,13H2,1H3/t14?,17-,18?,19?/m1/s1
InChIKeyCIXUHRDCVTVBIL-UIOSHYFSSA-N
XLogP3.31
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine (CID 70906595) is (3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine is CC1CC2CCC(C1)N2c1ccc(C(N[C@@H]2CCNC2)=C2CC2)cn1.
What is the InChIKey of (3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine?
The InChIKey is CIXUHRDCVTVBIL-UIOSHYFSSA-N. The full InChI is InChI=1S/C21H30N4/c1-14-10-18-5-6-19(11-14)25(18)20-7-4-16(12-23-20)21(15-2-3-15)24-17-8-9-22-13-17/h4,7,12,14,17-19,22,24H,2-3,5-6,8-11,13H2,1H3/t14?,17-,18?,19?/m1/s1.
What are the key properties of (3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine?
(3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine has a molecular weight of 338.50 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 70906595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).